Basic information
- CAS
16491-63-7- Standard SMILES
C=CCOC(=O)C1CCCCC1- InChIKey
AIPJCMMALQPRMK-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Allyl cyclohexanecarboxylate
- IUPAC
- prop-2-enyl cyclohexanecarboxylate
- English name
- allyl cyclohexanecarboxylate
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
Allyl cyclohexanecarboxylate16491-63-7Cyclohexanecarboxylic acid, 2-propenyl esterTA9RCC6QNA2-Propen-1-yl cyclohexanecarboxylateCYCLOHEXANECARBOXYLIC ACID, 2-PROPEN-1-YL ESTERprop-2-enyl cyclohexanecarboxylatePROP-2-EN-1-YL CYCLOHEXANECARBOXYLATEEINECS 240-556-3Cyclohexanecarboxylic acid, allyl esterUNII-TA9RCC6QNAAI3-19784
Show more names
Cyclohexanecarboxylic acid allyl esterCyclohexanecarboxylic acid 2-propenyl ester
Allyl cyclohexanecarboxylate #SCHEMBL634058DTXSID80167822MFCD28015508DB-243021NS00025396
Database identifiers
- CAS
16491-63-7- PubChem CID
- 85453
- DTXSID
DTXSID80167822- UNII
- TA9RCC6QNA
- EC Number
- 240-556-3
- Nikkaji
- J318.216I
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 157
Physicochemical properties
- Boiling point
- 103 · 103-104 °C(Press: 18 Torr)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- LogP
- 3.05 · 3.050 (est)
- FDA UNII
- 9 RCC6QNA · TA9RCC6QNA
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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