(Z,12R)-5,12-dihydroxyoctadec-9-enoic acid

C18H34O4 — CID 87091224

IUPAC(Z,12R)-5,12-dihydroxyoctadec-9-enoic acid
SMILESCCCCCC[C@@H](O)C/C=C\CCCC(O)CCCC(=O)O
InChIInChI=1S/C18H34O4/c1-2-3-4-7-11-16(19)12-8-5-6-9-13-17(20)14-10-15-18(21)22/h5,8,16-17,19-20H,2-4,6-7,9-15H2,1H3,(H,21,22)/b8-5-/t16-,17?/m1/s1
InChIKeyYBKIWMUDXQACNC-VNPWCQESSA-N
MW314.47 g/mol
LogP4.05
Rot. Bonds15

About (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid

(Z,12R)-5,12-dihydroxyoctadec-9-enoic acid (PubChem CID 87091224) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid.

Molecular Properties

Compound Name(Z,12R)-5,12-dihydroxyoctadec-9-enoic acid
PubChem CID87091224
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name(Z,12R)-5,12-dihydroxyoctadec-9-enoic acid
SMILESCCCCCC[C@@H](O)C/C=C\CCCC(O)CCCC(=O)O
InChIInChI=1S/C18H34O4/c1-2-3-4-7-11-16(19)12-8-5-6-9-13-17(20)14-10-15-18(21)22/h5,8,16-17,19-20H,2-4,6-7,9-15H2,1H3,(H,21,22)/b8-5-/t16-,17?/m1/s1
InChIKeyYBKIWMUDXQACNC-VNPWCQESSA-N
XLogP4.05
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-8-hydroxyicos-5-enoic acid
CID 14748256
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
CID 175884069
CID 175884069
7-hydroxytridec-4-enoic acid
CID 162699563
2-hydroxyacetic acid;bis((Z)-12-hydroxyoctadec-9-enoic acid);titanium
CID 6437456
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
15-hydroxynonacosa-17,20-dienoic acid
CID 169277174

Frequently Asked Questions

What is the IUPAC name of (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid?
The IUPAC name of (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid (CID 87091224) is (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid.
What is the SMILES notation for (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid?
The canonical SMILES for (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid is CCCCCC[C@@H](O)C/C=C\CCCC(O)CCCC(=O)O.
What is the InChIKey of (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid?
The InChIKey is YBKIWMUDXQACNC-VNPWCQESSA-N. The full InChI is InChI=1S/C18H34O4/c1-2-3-4-7-11-16(19)12-8-5-6-9-13-17(20)14-10-15-18(21)22/h5,8,16-17,19-20H,2-4,6-7,9-15H2,1H3,(H,21,22)/b8-5-/t16-,17?/m1/s1.
What are the key properties of (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid?
(Z,12R)-5,12-dihydroxyoctadec-9-enoic acid has a molecular weight of 314.47 g/mol, XLogP of 4.05, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,12R)-5,12-dihydroxyoctadec-9-enoic acid is sourced from PubChem (CID 87091224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).