Basic information
- CAS
16691-59-1- Standard SMILES
COC(=O)C1=C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC- InChIKey
NJNIOTQAGXGMFK-UHFFFAOYSA-N- Molecular formula
- C15H16O10
- Average molar mass
- 356.28 g/mol
- Monoisotopic mass
- 356.07434671
Names & identifiers
- Preferred name
- Pentamethyl cyclopentadiene-1,2,3,4,5-pentacarboxylate
- IUPAC
- pentamethyl cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
- English name
- Pentamethyl cyclopentadiene-1,2,3,4,5-pentacarboxylate
- Molecular formula
- C15H16O10
- Molecular weight
- 356.28
Names & synonyms
16691-59-1Pentamethyl cyclopentadiene-1,2,3,4,5-pentacarboxylatepentamethyl cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylatepentakis(methoxycarbonyl)cyclopentadiene1,2,3,4,5-pentamethoxycarbonylcyclopentadieneSCHEMBL4795656CHEMBL2220004DTXSID90333253AKOS015913364DB-043668CS-0100202Pentakis(methoxycarbonyl)cyclopentadiene, 97%
Show more names
pentamethyl cyclopentadiene-1,2,3,4,5-pentacarbox1,2,3,4,5-pentakis(methoxycarbonyl)cyclopenta-1,3-dienecyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylic acid pentamethyl ester1,3-Cyclopentadiene-1,2,3,4,5-pentacarboxylic acid, 1,2,3,4,5-pentamethyl ester
Pentamethyl cyclopebtadiene-1,2,3,4,5-pentacarboxylateCyclopentadiene-1,2,3,4,5-pentacarboxylic acid pentylmethyl ester1,3-Cyclopentadiene-1,2,3,4,5-pentacarboxylic acid, pentamethyl ester
Database identifiers
- CAS
16691-59-1- PubChem CID
- 494485
- DTXSID
DTXSID90333253- ChEMBL
CHEMBL2220004- Nikkaji
- J1.163.403F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Melting point
- 149 °C · 149 °C (dec.) (lit.)
- Boiling point
- 451.9 · 451.9±45.0 °C(Predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C15H16O10/c1-21-11(16)6-7(12(17)22-2)9(14(19)24-4)10(15(20)25-5)8(6)13(18)23-3/h6H,1-5H3
- InChIKey
- NJNIOTQAGXGMFK-UHFFFAOYSA-N
- SMILES
- COC(=O)C1C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesUseful synthetic building block demonstrated by Tristan Lambert to enable access to chiral Brnsted acid catalysts.
Suppliers14 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]
Related reactions
1 records
Compound notes
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