Basic information
- CAS
106083-74-3- Standard SMILES
CC(C)CCOC(=O)C1CCCC1- InChIKey
XWTWGWCSIXFCEN-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- Isopentyl cyclopentanecarboxylate
- IUPAC
- 3-methylbutyl cyclopentanecarboxylate
- English name
- Isopentyl cyclopentanecarboxylate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
Isopentyl cyclopentanecarboxylate106083-74-3DTXSID90338743RefChem:349757DTXCID302898263-methylbutyl cyclopentanecarboxylateCyclopentanecarboxylicacid, 3-methylbutyl esterXWTWGWCSIXFCEN-UHFFFAOYSA-NIsopentyl cyclopentanecarboxylate #Cyclopentanecarboxylic acid, 3-methylbutyl ester
Database identifiers
- CAS
106083-74-3- PubChem CID
- 550893
- DTXSID
DTXSID90338743
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 108 · 108-109 °C(Press: 14 Torr)
- Density
- 0.9239 g/cm3 · 0.9239 g/cm3(Temp: 25 °C)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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