7-hydroxytridec-4-enoic acid

C13H24O3 — CID 162699563

IUPAC7-hydroxytridec-4-enoic acid
SMILESCCCCCCC(O)CC=CCCC(=O)O
InChIInChI=1S/C13H24O3/c1-2-3-4-6-9-12(14)10-7-5-8-11-13(15)16/h5,7,12,14H,2-4,6,8-11H2,1H3,(H,15,16)
InChIKeyINTJFZBZSQVZJW-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.13
Rot. Bonds10

About 7-hydroxytridec-4-enoic acid

7-hydroxytridec-4-enoic acid (PubChem CID 162699563) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 7-hydroxytridec-4-enoic acid.

Molecular Properties

Compound Name7-hydroxytridec-4-enoic acid
PubChem CID162699563
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name7-hydroxytridec-4-enoic acid
SMILESCCCCCCC(O)CC=CCCC(=O)O
InChIInChI=1S/C13H24O3/c1-2-3-4-6-9-12(14)10-7-5-8-11-13(15)16/h5,7,12,14H,2-4,6,8-11H2,1H3,(H,15,16)
InChIKeyINTJFZBZSQVZJW-UHFFFAOYSA-N
XLogP3.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.13
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 7-hydroxytridec-4-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)-5,12-dihydroxyoctadec-9-enoic acid
CID 87091224
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
CID 175884069
CID 175884069
11-hydroxyheptadec-13-enoic acid
CID 169277331
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
2-hydroxyacetic acid;bis((Z)-12-hydroxyoctadec-9-enoic acid);titanium
CID 6437456

Frequently Asked Questions

What is the IUPAC name of 7-hydroxytridec-4-enoic acid?
The IUPAC name of 7-hydroxytridec-4-enoic acid (CID 162699563) is 7-hydroxytridec-4-enoic acid.
What is the SMILES notation for 7-hydroxytridec-4-enoic acid?
The canonical SMILES for 7-hydroxytridec-4-enoic acid is CCCCCCC(O)CC=CCCC(=O)O.
What is the InChIKey of 7-hydroxytridec-4-enoic acid?
The InChIKey is INTJFZBZSQVZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-3-4-6-9-12(14)10-7-5-8-11-13(15)16/h5,7,12,14H,2-4,6,8-11H2,1H3,(H,15,16).
What are the key properties of 7-hydroxytridec-4-enoic acid?
7-hydroxytridec-4-enoic acid has a molecular weight of 228.33 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxytridec-4-enoic acid is sourced from PubChem (CID 162699563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).