3-Phenylpropyl cyclohexanepropionate
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Basic information
- CAS
85204-27-9- Standard SMILES
O=C(CCC1CCCCC1)OCCCc1ccccc1- InChIKey
VECOJECXTIMSPX-UHFFFAOYSA-N- Molecular formula
- C18H26O2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.19328007
Names & identifiers
- Preferred name
- 3-Phenylpropyl cyclohexanepropionate
- IUPAC
- 3-phenylpropyl 3-cyclohexylpropanoate
- English name
- 3-phenylpropyl cyclohexanepropionate
- Molecular formula
- C18H26O2
- Molecular weight
- 274.4
Names & synonyms
3-Phenylpropyl cyclohexanepropionate3-phenylpropyl 3-cyclohexylpropanoate85204-27-9EINECS 286-322-4428ZJ4SA35NSC-8331DTXSID00234404NSC 83313-PHENYLPROPYL CYCLOHEXANEPROPANOATE1-PROPANOL, 3-PHENYL-, CYCLOHEXANEPROPIONATECYCLOHEXANEPROPANOIC ACID, 3-PHENYLPROPYL ESTERRefChem:95348
Show more names
Cyclohexanepropionic acid 3-phenylpropyl ester
DTXCID60156895286-322-4Cyclohexanepropanoicacid, 3-phenylpropyl esterUNII-428ZJ4SA35NSC8331VECOJECXTIMSPX-UHFFFAOYSA-NDS-010675NS00038848
Database identifiers
- CAS
85204-27-9- PubChem CID
- 94919
- DTXSID
DTXSID00234404- UNII
- 428ZJ4SA35
- EC Number
- 286-322-4
- Nikkaji
- J333.823A
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- FDA UNII
- 428 ZJ4SA35 · 428ZJ4SA35
Related reactions
0 records
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Compound notes
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