Diisopentyl carbonate
Basic information
- CAS
2050-95-5- Standard SMILES
CC(C)CCOC(=O)OCCC(C)C- InChIKey
DWWPOAYNAWHBKI-UHFFFAOYSA-N- Molecular formula
- C11H22O3
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.15689456
Names & identifiers
- Preferred name
- Diisopentyl carbonate
- IUPAC
- bis(3-methylbutyl) carbonate
- English name
- diisopentyl carbonate
- Molecular formula
- C11H22O3
- Molecular weight
- 202.29058
Names & synonyms
Diisopentyl carbonatebis(3-methylbutyl) carbonate2050-95-5Di-iso-amyl carbonatecarbonic acid diisopentyl ester1-Butanol, 3-methyl-, carbonate (2:1)diisoamyl carbonateEINECS 218-109-9Diisopentyl carbonate #bis(3-methylbutyl)carbonateY6MA93QA5HSCHEMBL610682
Show more names
Carbonic acid bis(isopentyl) esterCarbonic acid di(3-methylbutyl) esterCarbonic acid=bis(3-methylbutyl) ester
DTXSID80174495NS00047022
Database identifiers
- CAS
2050-95-5- PubChem CID
- 74913
- DTXSID
DTXSID80174495- UNII
- Y6MA93QA5H
- EC Number
- 218-109-9
- Nikkaji
- J95.555H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 234 °C · 234°C (estimate)
- Density
- 0.9067 · 0.9067
- refractive index
- 1.4174 · 1.4174 (estimate)
Related reactions
1 records
Compound notes
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