(E)-3-hydroxyoct-4-enoic acid

C8H14O3 — CID 14359735

IUPAC(E)-3-hydroxyoct-4-enoic acid
SMILESCCC/C=C/C(O)CC(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h4-5,7,9H,2-3,6H2,1H3,(H,10,11)/b5-4+
InChIKeyXWLRJZXXLLFLAS-SNAWJCMRSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds5

About (E)-3-hydroxyoct-4-enoic acid

(E)-3-hydroxyoct-4-enoic acid (PubChem CID 14359735) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (E)-3-hydroxyoct-4-enoic acid.

Molecular Properties

Compound Name(E)-3-hydroxyoct-4-enoic acid
PubChem CID14359735
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(E)-3-hydroxyoct-4-enoic acid
SMILESCCC/C=C/C(O)CC(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h4-5,7,9H,2-3,6H2,1H3,(H,10,11)/b5-4+
InChIKeyXWLRJZXXLLFLAS-SNAWJCMRSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 (E)-3-hydroxyoct-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

Ethyl 3-hydroxypent-4-enoate
CID 545575
trans-3-Hydroxyhex-4-enoic acid
CID 12740487
Ieodomycin C
CID 53387506
3-Hydroxy-4-pentenoic acid
CID 162354
Qbmoxzaunmftmz-fvoaxitgsa-
CID 16046710
21-hydroxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
CID 52922000
21-HDoHE(1-)
CID 119058182
(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid
CID 57445552
6-Hydroxyhept-4-enoic acid
CID 71333775
Dendrodolide G
CID 139585365
Dendrodolide F
CID 139587617
(3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid
CID 162989367

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxyoct-4-enoic acid?
The IUPAC name of (E)-3-hydroxyoct-4-enoic acid (CID 14359735) is (E)-3-hydroxyoct-4-enoic acid.
What is the SMILES notation for (E)-3-hydroxyoct-4-enoic acid?
The canonical SMILES for (E)-3-hydroxyoct-4-enoic acid is CCC/C=C/C(O)CC(=O)O.
What is the InChIKey of (E)-3-hydroxyoct-4-enoic acid?
The InChIKey is XWLRJZXXLLFLAS-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h4-5,7,9H,2-3,6H2,1H3,(H,10,11)/b5-4+.
What are the key properties of (E)-3-hydroxyoct-4-enoic acid?
(E)-3-hydroxyoct-4-enoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxyoct-4-enoic acid is sourced from PubChem (CID 14359735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).