Basic information
- CAS
85554-69-4- Standard SMILES
CC/C=C\CCOC(=O)CCCCCCCCC- InChIKey
APSRJAGZYONPLL-VURMDHGXSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 254.41 g/mol
- Monoisotopic mass
- 254.2245802
Overview
See also: Decanoic acid, (3Z)-3-hexenyl ester (annotation moved to); Hex-(3Z)-enyl decanoate (annotation moved to).
Names & identifiers
- Preferred name
- Decanoic acid, 3-hexenyl ester, (Z)-
- IUPAC
- [(Z)-hex-3-enyl] decanoate
- English name
- (Z)-3-hexenyl decanoate
- Molecular formula
- C16H30O2
- Molecular weight
- 254.41
Names & synonyms
Decanoic acid, 3-hexenyl ester, (Z)-RefChem:585485(3Z)-3-Hexen-1-yl decanoate(Z)-3-Hexenyl decanoate85554-69-43-Hexenyl decanoatecis-3-Hexenyl decanoate[(Z)-hex-3-enyl] decanoateEINECS 287-601-3(3Z)-HEX-3-EN-1-YL DECANOATEz-3-hexenyl decanoatecis-3-Hexenyl n-decanoate
Show more names
(Z)-3-hexen-1-yl decanoateHEX-3-ENYLDECANOATEcis-3-HexenyldecanoateDecanoic acid (Z)-3-hexenyl esterDecanoic acid, (3Z)-3-hexenyl esterDecanoic acid, (3Z)-3-hexen-1-yl ester
(3Z)-3-Hexenyl decanoateSCHEMBL21958204DTXSID10893869NS00064844Q63391899
Database identifiers
- CAS
85554-69-4- PubChem CID
- 5367684
- DTXSID
DTXSID10893869- EC Number
- 287-601-3
- Nikkaji
- J183.091K
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- FLAVIS Number
- 9.567 · 09.567 | Hex-(3Z)-enyl decanoate
- LogP
- 6.476 · 6.476 (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: Decanoic 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]
上海问彩新材料科技有限公司15721586846 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [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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