(Z)-11-hydroxyoctadec-9-enoate

C18H33O3- — CID 171037416

IUPAC(Z)-11-hydroxyoctadec-9-enoate
SMILESCCCCCCCC(O)/C=C\CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/p-1/b15-12-
InChIKeyMHBZYZVYSHCDLI-QINSGFPZSA-M
MW297.46 g/mol
LogP3.74
Rot. Bonds15

About (Z)-11-hydroxyoctadec-9-enoate

(Z)-11-hydroxyoctadec-9-enoate (PubChem CID 171037416) has the molecular formula C18H33O3- and a molecular weight of 297.46 g/mol. Its IUPAC name is (Z)-11-hydroxyoctadec-9-enoate.

Molecular Properties

Compound Name(Z)-11-hydroxyoctadec-9-enoate
PubChem CID171037416
Molecular FormulaC18H33O3-
Molecular Weight297.46 g/mol
Exact Mass297.24
IUPAC Name(Z)-11-hydroxyoctadec-9-enoate
SMILESCCCCCCCC(O)/C=C\CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/p-1/b15-12-
InChIKeyMHBZYZVYSHCDLI-QINSGFPZSA-M
XLogP3.74
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

henicos-7-en-6-ol
CID 91409967
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
sodium (Z,12R)-12-hydroxyoctadec-9-enoate
CID 23687338
(E)-10-hydroperoxyoctadec-8-enoate
CID 86289553
sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate
CID 173324168
(6Z,9Z,11E)-13-hydroxyoctadeca-6,9,11-trienoate
CID 59755726
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
(E)-triacont-15-enoate
CID 59800253
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
methyl 9-hydroxyhexadec-7-enoate
CID 73069311

Frequently Asked Questions

What is the IUPAC name of (Z)-11-hydroxyoctadec-9-enoate?
The IUPAC name of (Z)-11-hydroxyoctadec-9-enoate (CID 171037416) is (Z)-11-hydroxyoctadec-9-enoate.
What is the SMILES notation for (Z)-11-hydroxyoctadec-9-enoate?
The canonical SMILES for (Z)-11-hydroxyoctadec-9-enoate is CCCCCCCC(O)/C=C\CCCCCCCC(=O)[O-].
What is the InChIKey of (Z)-11-hydroxyoctadec-9-enoate?
The InChIKey is MHBZYZVYSHCDLI-QINSGFPZSA-M. The full InChI is InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/p-1/b15-12-.
What are the key properties of (Z)-11-hydroxyoctadec-9-enoate?
(Z)-11-hydroxyoctadec-9-enoate has a molecular weight of 297.46 g/mol, XLogP of 3.74, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-11-hydroxyoctadec-9-enoate is sourced from PubChem (CID 171037416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).