12-hydroxyhenicos-14-enoic acid

C21H40O3 — CID 169277303

IUPAC12-hydroxyhenicos-14-enoic acid
SMILESCCCCCCC=CCC(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C21H40O3/c1-2-3-4-5-8-11-14-17-20(22)18-15-12-9-6-7-10-13-16-19-21(23)24/h11,14,20,22H,2-10,12-13,15-19H2,1H3,(H,23,24)
InChIKeyZARWGOIGKMVDTH-UHFFFAOYSA-N
MW340.55 g/mol
LogP6.25
Rot. Bonds18

About 12-hydroxyhenicos-14-enoic acid

12-hydroxyhenicos-14-enoic acid (PubChem CID 169277303) has the molecular formula C21H40O3 and a molecular weight of 340.55 g/mol. Its IUPAC name is 12-hydroxyhenicos-14-enoic acid.

Molecular Properties

Compound Name12-hydroxyhenicos-14-enoic acid
PubChem CID169277303
Molecular FormulaC21H40O3
Molecular Weight340.55 g/mol
Exact Mass340.30
IUPAC Name12-hydroxyhenicos-14-enoic acid
SMILESCCCCCCC=CCC(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C21H40O3/c1-2-3-4-5-8-11-14-17-20(22)18-15-12-9-6-7-10-13-16-19-21(23)24/h11,14,20,22H,2-10,12-13,15-19H2,1H3,(H,23,24)
InChIKeyZARWGOIGKMVDTH-UHFFFAOYSA-N
XLogP6.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 56.25
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'}

Analyze 12-hydroxyhenicos-14-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

(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
CID 131874957
CID 131874957
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 175884069
CID 175884069
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
2-hydroxyacetic acid;bis((Z)-12-hydroxyoctadec-9-enoic acid);titanium
CID 6437456
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268
15-hydroxynonacosa-17,20-dienoic acid
CID 169277174
10-hydroxytetracosa-12,15-dienoic acid
CID 169276974

Frequently Asked Questions

What is the IUPAC name of 12-hydroxyhenicos-14-enoic acid?
The IUPAC name of 12-hydroxyhenicos-14-enoic acid (CID 169277303) is 12-hydroxyhenicos-14-enoic acid.
What is the SMILES notation for 12-hydroxyhenicos-14-enoic acid?
The canonical SMILES for 12-hydroxyhenicos-14-enoic acid is CCCCCCC=CCC(O)CCCCCCCCCCC(=O)O.
What is the InChIKey of 12-hydroxyhenicos-14-enoic acid?
The InChIKey is ZARWGOIGKMVDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O3/c1-2-3-4-5-8-11-14-17-20(22)18-15-12-9-6-7-10-13-16-19-21(23)24/h11,14,20,22H,2-10,12-13,15-19H2,1H3,(H,23,24).
What are the key properties of 12-hydroxyhenicos-14-enoic acid?
12-hydroxyhenicos-14-enoic acid has a molecular weight of 340.55 g/mol, XLogP of 6.25, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxyhenicos-14-enoic acid is sourced from PubChem (CID 169277303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).