Basic information
- CAS
87505-87-1- Standard SMILES
CCCCCCCCCCCCC(C)(C(=O)OCC1COCCOCCOCCOCCO1)C(=O)OCC1COCCOCCOCCOCCO1- InChIKey
VBSJDFMINZMRTI-UHFFFAOYSA-N- Molecular formula
- C38H70O14
- Average molar mass
- 751 g/mol
- Monoisotopic mass
- 750.4765569
Names & identifiers
- Preferred name
- Bis((1,4,7,10,13-pentaoxacyclopentadecan-2-yl)methyl) 2-dodecyl-2-methylmalonate
- IUPAC
- bis(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl) 2-dodecyl-2-methylpropanedioate
- English name
- Bis-[(15-crown-5)-methyl-2-dodecyl-2-methylmalonate
- Molecular formula
- C38H70O14
- Molecular weight
- 750.95
Names & synonyms
87505-87-1Bis((1,4,7,10,13-pentaoxacyclopentadecan-2-yl)methyl) 2-dodecyl-2-methylmalonatebis(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl) 2-dodecyl-2-methylpropanedioateDTXSID20545347Bis((1,4,7,10,13-pentaoxacyclopentadecan-2-yl)methyl)2-dodecyl-2-methylmalonateBis[(1,4,7,10,13-pentaoxacyclopentadecan-2-yl)methyl] dodecyl(methyl)propanedioatedodecylmethylmalonate of bis(15-crown-5)Bis-[(15-crown-5)-methyl-2-dodecyl-2-methylmalonateName:Bis(1,4,7,10,13-pentaoxacyclopentadecan-2-yl)methyl)2-dodecyl-2-methylmalonatePropanedioic acid, 2-dodecyl-2-methyl-, 1,3-bis(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl) ester
Database identifiers
- CAS
87505-87-1- PubChem CID
- 13627166
- DTXSID
DTXSID20545347
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 19
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 795
Physicochemical properties
- Boiling point
- 789.1 · 789.1±55.0 °C(Predicted)
- Density
- 1.032 · 1.032±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers1 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…