5-hydroxyoct-7-enoic acid

C8H14O3 — CID 10953792

IUPAC5-hydroxyoct-7-enoic acid
SMILESC=CCC(O)CCCC(=O)O
InChIInChI=1S/C8H14O3/c1-2-4-7(9)5-3-6-8(10)11/h2,7,9H,1,3-6H2,(H,10,11)
InChIKeyVFUILDGJAGKIMN-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds6

About 5-hydroxyoct-7-enoic acid

5-hydroxyoct-7-enoic acid (PubChem CID 10953792) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-hydroxyoct-7-enoic acid.

Molecular Properties

Compound Name5-hydroxyoct-7-enoic acid
PubChem CID10953792
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-hydroxyoct-7-enoic acid
SMILESC=CCC(O)CCCC(=O)O
InChIInChI=1S/C8H14O3/c1-2-4-7(9)5-3-6-8(10)11/h2,7,9H,1,3-6H2,(H,10,11)
InChIKeyVFUILDGJAGKIMN-UHFFFAOYSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hydroxyoct-7-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

(5R)-5-hydroxydec-9-enoic acid
CID 97184595
5-hydroxytridecanedioic acid
CID 139805426
5-formyloct-7-enoic acid
CID 87783752
19-hydroxytricos-21-enoic acid
CID 169277159
dec-9-enoic acid;3-hydroxydec-9-enoic acid
CID 159851284
(12R,31R)-12,31-dihydroxydotetraconta-9,33-dienedioic acid
CID 54536675
nona-1,8-dien-4-ol
CID 14385456
(3S)-3-hydroxyheptanedioic acid
CID 87737490
5,6-dihydroxyhexanoic acid
CID 15140307
(5S)-5,6-dihydroxyhexanoic acid
CID 88918822
(9S)-9-hydroxyundec-10-enoic acid
CID 73242170
(9R)-9-hydroxyundec-10-enoic acid
CID 24874221

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyoct-7-enoic acid?
The IUPAC name of 5-hydroxyoct-7-enoic acid (CID 10953792) is 5-hydroxyoct-7-enoic acid.
What is the SMILES notation for 5-hydroxyoct-7-enoic acid?
The canonical SMILES for 5-hydroxyoct-7-enoic acid is C=CCC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxyoct-7-enoic acid?
The InChIKey is VFUILDGJAGKIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-4-7(9)5-3-6-8(10)11/h2,7,9H,1,3-6H2,(H,10,11).
What are the key properties of 5-hydroxyoct-7-enoic acid?
5-hydroxyoct-7-enoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyoct-7-enoic acid is sourced from PubChem (CID 10953792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).