Basic information
- CAS
61444-39-1- Standard SMILES
CC/C=C\CCOC(=O)CCCCCC- InChIKey
KBBLMMCEHYHHIW-VURMDHGXSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Overview
See also: (3Z)-Hexenyl heptanoate (annotation moved to).
Names & identifiers
- Preferred name
- Heptanoic acid, 3-hexenyl ester, (Z)-
- IUPAC
- [(Z)-hex-3-enyl] heptanoate
- English name
- (Z)-hex-3-enyl heptanoate
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
Heptanoic acid, 3-hexenyl ester, (Z)-RefChem:783692(3Z)-3-Hexen-1-yl heptanoatecis-3-Hexenyl heptanoate61444-39-1(Z)-Hex-3-enyl heptanoate(3Z)-3-Hexenyl heptanoate[(Z)-hex-3-enyl] heptanoateEINECS 262-798-9(3Z)-HEX-3-EN-1-YL HEPTANOATE(Z)-3-Hexenyl heptanoateSCHEMBL14157058
Show more names
(Z)-3-hexen-1-yl heptanoate3-HEXENYLHEPTANOATEhex-3-enyl heptanoateHeptanoic acid (Z)-3-hexen-1-yl esterHeptanoic acid, (3Z)-3-hexen-1-yl ester
DTXSID101009383DB-215298NS00052706
Database identifiers
- CAS
61444-39-1- PubChem CID
- 5367677
- DTXSID
DTXSID101009383- EC Number
- 262-798-9
- Nikkaji
- J126.507E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- FLAVIS Number
- 9.575 · 09.575 | (3Z)-Hexenyl heptanoate
- LogP
- 4.947 · 4.947 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Heptanoic acid, 3-hexenyl ester, (Z)-
Chemistry & industry
Suppliers4 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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