Basic information
- CAS
30689-77-1- Standard SMILES
CCC(C)CCCCC=CCCCCCCC(=O)OC- InChIKey
KXKSZSXMFYJWFU-UHFFFAOYSA-N- Molecular formula
- C18H34O2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.25588032
Names & identifiers
- Preferred name
- Methyl 14-methylhexadec-8-enoate
- IUPAC
- methyl 14-methylhexadec-8-enoate
- English name
- methyl (Z)-14-methylhexadec-8-enoate
- Molecular formula
- C18H34O2
- Molecular weight
- 282.46
Names & synonyms
30689-77-1Methyl (Z)-14-methylhexadec-8-enoateSCHEMBL10414867Einecs 250-297-8(Z)-14-Methyl-8-hexadecenoic acid methyl(Z)-14-Methyl-8-hexadecenoic acid methyl ester8-Hexadecenoic acid, 14-methyl-, methyl ester, (Z)- (8CI,9CI)
Database identifiers
- CAS
30689-77-1- PubChem CID
- 92582
- EC Number
- 250-297-8
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 351.4 · 351.4±21.0 °C(Predicted)
- Density
- 0.874 · 0.874±0.06 g/cm3(Predicted)
- LogP
- 7.45 · 7.450 (est)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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