Basic information
- CAS
4709-59-5- Standard SMILES
CCOC(=O)CC1=CCCCC1- InChIKey
PCEAXJCWSKKROQ-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Ethyl (1'-cyclohexenyl)acetate
- IUPAC
- ethyl 2-(cyclohexen-1-yl)acetate
- English name
- 1-Cyclohexene-1-acetic acid, ethyl ester
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
Ethyl (1'-cyclohexenyl)acetate4709-59-5DTXSID30197033NSC 53535RefChem:138442DTXCID40119524ethyl 2-(cyclohex-1-en-1-yl)acetate1-Cyclohexene-1-acetic acid, ethyl esterSCHEMBL4721039HZ7253ZQVethyl 1-cyclohexen-1-ylacetateethyl 2-(1-cyclohexenyl)acetate
Show more names
PCEAXJCWSKKROQ-UHFFFAOYSA-N
NSC53535Ethyl (cyclohex-1-en-1-yl)acetateAKOS006281186
Database identifiers
- CAS
4709-59-5- PubChem CID
- 138327
- DTXSID
DTXSID30197033- UNII
- 9HZ7253ZQV
- Nikkaji
- J2.052.039F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 93 · 93-95 °C(Press: 10 Torr)
- Density
- 0.979 · 0.979±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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