9-Octadecenolide
Basic information
- CAS
74992-69-1- Standard SMILES
O=C1CCCCCCC/C=C\CCCCCCCCO1- InChIKey
GODWWTDBDJRXIU-UPHRSURJSA-N- Molecular formula
- C18H32O2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.24023026
Overview
oxacyclononadec-10-en-2-one has been reported in Angelica archangelica with data available.
Names & identifiers
- Preferred name
- 9-Octadecenolide
- IUPAC
- (10Z)-1-oxacyclononadec-10-en-2-one
Names & synonyms
9-Octadecenolide9Z-octadecen-18-olideRefChem:1075033oxacyclononadec-10-en-2-oneUNII-85Z1B0U5ZM85Z1B0U5ZM(10Z)-1-oxacyclononadec-10-en-2-one(Z)-18-Octadec-9-enolide74992-69-1Oxacyclononadec-10-en-2-one, (10Z)-18-hydroxyoleic acid lactone9-octadecenolactone
Show more names
(z)-octadec-9-en-18-olideSCHEMBL18281091GODWWTDBDJRXIU-UPHRSURJSA-NDTXSID501367101(Z)-Oxacyclononadec-10-en-2-oneLMFA07040090Oxacyclononadec-10-en-2-one, (Z)-Q27269681
Database identifiers
- CAS
74992-69-1、80060-76-0- PubChem CID
- 6428982
- DTXSID
DTXSID501367101- UNII
- 85Z1B0U5ZM
- Nikkaji
- J2.006.775F、J845.829D
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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