(Z)-9-hydroxy-10-oxooctadec-12-enoate

C18H31O4- — CID 25244575

IUPAC(Z)-9-hydroxy-10-oxooctadec-12-enoate
SMILESCCCCC/C=C\CC(=O)C(O)CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,17,20H,2-6,8-9,11-15H2,1H3,(H,21,22)/p-1/b10-7-
InChIKeyKUSHOISAFGTTRU-YFHOEESVSA-M
MW311.44 g/mol
LogP2.92
Rot. Bonds15

About (Z)-9-hydroxy-10-oxooctadec-12-enoate

(Z)-9-hydroxy-10-oxooctadec-12-enoate (PubChem CID 25244575) has the molecular formula C18H31O4- and a molecular weight of 311.44 g/mol. Its IUPAC name is (Z)-9-hydroxy-10-oxooctadec-12-enoate.

Molecular Properties

Compound Name(Z)-9-hydroxy-10-oxooctadec-12-enoate
PubChem CID25244575
Molecular FormulaC18H31O4-
Molecular Weight311.44 g/mol
Exact Mass311.22
IUPAC Name(Z)-9-hydroxy-10-oxooctadec-12-enoate
SMILESCCCCC/C=C\CC(=O)C(O)CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,17,20H,2-6,8-9,11-15H2,1H3,(H,21,22)/p-1/b10-7-
InChIKeyKUSHOISAFGTTRU-YFHOEESVSA-M
XLogP2.92
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ricinoleic Acid
CID 643684
Methyl Ricinoleate
CID 5354133
Potassium Ricinoleate
CID 23716429
(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-Trienoic Acid
CID 5283147
Sodium Ricinoleate
CID 23687338
Butyl ricinoleate
CID 5354175
Idroxioleic Acid
CID 9796304
9-Hydroxy-10,12,15-octadecatrienoic acid
CID 6439873
Ibrilatazar
CID 21158511
Zinc Ricinoleate
CID 6437808
Ethyl Ricinoleate
CID 6437405
(9Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942

Frequently Asked Questions

What is the IUPAC name of (Z)-9-hydroxy-10-oxooctadec-12-enoate?
The IUPAC name of (Z)-9-hydroxy-10-oxooctadec-12-enoate (CID 25244575) is (Z)-9-hydroxy-10-oxooctadec-12-enoate.
What is the SMILES notation for (Z)-9-hydroxy-10-oxooctadec-12-enoate?
The canonical SMILES for (Z)-9-hydroxy-10-oxooctadec-12-enoate is CCCCC/C=C\CC(=O)C(O)CCCCCCCC(=O)[O-].
What is the InChIKey of (Z)-9-hydroxy-10-oxooctadec-12-enoate?
The InChIKey is KUSHOISAFGTTRU-YFHOEESVSA-M. The full InChI is InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,17,20H,2-6,8-9,11-15H2,1H3,(H,21,22)/p-1/b10-7-.
What are the key properties of (Z)-9-hydroxy-10-oxooctadec-12-enoate?
(Z)-9-hydroxy-10-oxooctadec-12-enoate has a molecular weight of 311.44 g/mol, XLogP of 2.92, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-hydroxy-10-oxooctadec-12-enoate is sourced from PubChem (CID 25244575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).