Basic information
- Standard SMILES
COC(=O)C1CCC(C(=O)OC)C1- InChIKey
SQFQEQDRLAZVJQ-UHFFFAOYSA-N- Molecular formula
- C9H14O4
- Average molar mass
- 186.2 g/mol
- Monoisotopic mass
- 186.08920893
Names & identifiers
- Preferred name
- 1,3-Dimethyl 1,3-cyclopentanedicarboxylate
- IUPAC
- dimethyl cyclopentane-1,3-dicarboxylate
- English name
- Dimethyl cyclopentane-1,3-dicarboxylate
- Molecular formula
- C9H14O4
- Molecular weight
- 186.21
Names & synonyms
2435-36-1RefChem:10528561,3-Dimethyl 1,3-cyclopentanedicarboxylatedimethyl cyclopentane-1,3-dicarboxylateCyclopentane-1,3-dicarboxylic acid dimethyl ester1,3-dimethyl cyclopentane-1,3-dicarboxylateDimethyl norcamphorateMFCD017354291,3-Cyclopentanedicarboxylic acid, dimethyl esterNorcamphoric acid, dimethyl esterDimethyl 1,3-cyclopentanedicarboxylate1,3-Bis(methoxycarbonyl)cyclopentane
Show more names
DIMETHYLNORCAMPHORATE1,3-Bis(methoxycarbonyl)cyclDimethyl=1,3-cyclopentanedicarboxylate1-benzyl-4-(4-methylpiperazin-1-yl)piperazine1,3-Cyclopentanedicarboxylic acid dimethyl ester
(1S,3R)-Dimethyl cyclopentane-1,3-dicarboxylateDIMETHYLCYCLOPENTANE-1,3-DICARBOXYLATEorb3144443SCHEMBL2824374DTXSID20947201CS-D0066TYD-03784AKOS015851644
Database identifiers
- CAS
2435-36-1- PubChem CID
- 200652
- DTXSID
DTXSID20947201- Nikkaji
- J48.259E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 241 ℃ · 241℃
- Density
- 1.135 · 1.135
- Flash point
- 113 ℃ · 113℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Clear Colourless
- InChI
- InChI=1S/C9H14O4/c1-12-8(10)6-3-4-7(5-6)9(11)13-2/h6-7H,3-5H2,1-2H3
- InChIKey
- SQFQEQDRLAZVJQ-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)CCC(C(OC)=O)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesDimethyl cyclopentane-1,3-dicarboxylate (cas# 2435-36-1) is a useful research chemical, It can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.
Upstream & downstream products
Upstream raw materials
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Related reactions
2 records
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