(Z)-15-hydroxyoctadec-6-enoic acid

C18H34O3 — CID 87225177

IUPAC(Z)-15-hydroxyoctadec-6-enoic acid
SMILESCCCC(O)CCCCCCC/C=C\CCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h5,7,17,19H,2-4,6,8-16H2,1H3,(H,20,21)/b7-5-
InChIKeyBIUQTAWBCCZSED-ALCCZGGFSA-N
MW298.47 g/mol
LogP5.08
Rot. Bonds15

About (Z)-15-hydroxyoctadec-6-enoic acid

(Z)-15-hydroxyoctadec-6-enoic acid (PubChem CID 87225177) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z)-15-hydroxyoctadec-6-enoic acid.

Molecular Properties

Compound Name(Z)-15-hydroxyoctadec-6-enoic acid
PubChem CID87225177
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(Z)-15-hydroxyoctadec-6-enoic acid
SMILESCCCC(O)CCCCCCC/C=C\CCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h5,7,17,19H,2-4,6,8-16H2,1H3,(H,20,21)/b7-5-
InChIKeyBIUQTAWBCCZSED-ALCCZGGFSA-N
XLogP5.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(E)-13-hydroxyhexadec-6-enoic acid
CID 87224864
14-hydroxydotriacont-20-enoic acid
CID 168720018
(Z)-8-hydroxytetracos-15-enoic acid
CID 161317669
24-hydroxyheptacosanoic acid
CID 169277120
16,19-dihydroxydocosanoic acid
CID 169277473
12-hydroxyicos-14-enoic acid
CID 169277255
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
(Z)-20,21-dihydroxyhenicos-9-enoic acid;(Z)-octadec-9-enoic acid
CID 158902601
4-hydroxydocosa-9,13-dienoic acid
CID 139805405
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171

Frequently Asked Questions

What is the IUPAC name of (Z)-15-hydroxyoctadec-6-enoic acid?
The IUPAC name of (Z)-15-hydroxyoctadec-6-enoic acid (CID 87225177) is (Z)-15-hydroxyoctadec-6-enoic acid.
What is the SMILES notation for (Z)-15-hydroxyoctadec-6-enoic acid?
The canonical SMILES for (Z)-15-hydroxyoctadec-6-enoic acid is CCCC(O)CCCCCCC/C=C\CCCCC(=O)O.
What is the InChIKey of (Z)-15-hydroxyoctadec-6-enoic acid?
The InChIKey is BIUQTAWBCCZSED-ALCCZGGFSA-N. The full InChI is InChI=1S/C18H34O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h5,7,17,19H,2-4,6,8-16H2,1H3,(H,20,21)/b7-5-.
What are the key properties of (Z)-15-hydroxyoctadec-6-enoic acid?
(Z)-15-hydroxyoctadec-6-enoic acid has a molecular weight of 298.47 g/mol, XLogP of 5.08, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-15-hydroxyoctadec-6-enoic acid is sourced from PubChem (CID 87225177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).