(2S)-2-hydroxyoct-7-en-4-one

C8H14O2 — CID 13293600

IUPAC(2S)-2-hydroxyoct-7-en-4-one
SMILESC=CCCC(=O)C[C@H](C)O
InChIInChI=1S/C8H14O2/c1-3-4-5-8(10)6-7(2)9/h3,7,9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyGBAWHEJTJQXQEZ-ZETCQYMHSA-N
MW142.20 g/mol
LogP1.29
Rot. Bonds5

About (2S)-2-hydroxyoct-7-en-4-one

(2S)-2-hydroxyoct-7-en-4-one (PubChem CID 13293600) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S)-2-hydroxyoct-7-en-4-one.

Molecular Properties

Compound Name(2S)-2-hydroxyoct-7-en-4-one
PubChem CID13293600
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2S)-2-hydroxyoct-7-en-4-one
SMILESC=CCCC(=O)C[C@H](C)O
InChIInChI=1S/C8H14O2/c1-3-4-5-8(10)6-7(2)9/h3,7,9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyGBAWHEJTJQXQEZ-ZETCQYMHSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-hydroxyoct-7-en-4-one 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

4-Hydroxypentadec-14-en-5,7-diyn-2-one
CID 9991550
11-Hydroxy-dodec-5-en-2-one
CID 162958574
2-Hydroxyoct-7-en-4-one
CID 13293599
6-Hepten-2-one, 4-hydroxy-
CID 11434957
4-Hydroxyoct-7-en-2-one
CID 10103273
(7E)-6-hydroxy-7-nonen-4-one
CID 12451637
(4S)-4-hydroxyoct-7-en-2-one
CID 13693321
1-Hydroxyoct-7-en-4-one
CID 14265348
(5R)-5-hydroxyoct-1-en-3-one
CID 24949834
(4R)-4-hydroxyoct-7-en-2-one
CID 102592058
(7R)-7-hydroxyoct-1-en-4-one
CID 135014137
5-Hydroxy-2-methylocta-1,7-dien-3-one
CID 138975439

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxyoct-7-en-4-one?
The IUPAC name of (2S)-2-hydroxyoct-7-en-4-one (CID 13293600) is (2S)-2-hydroxyoct-7-en-4-one.
What is the SMILES notation for (2S)-2-hydroxyoct-7-en-4-one?
The canonical SMILES for (2S)-2-hydroxyoct-7-en-4-one is C=CCCC(=O)C[C@H](C)O.
What is the InChIKey of (2S)-2-hydroxyoct-7-en-4-one?
The InChIKey is GBAWHEJTJQXQEZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-5-8(10)6-7(2)9/h3,7,9H,1,4-6H2,2H3/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxyoct-7-en-4-one?
(2S)-2-hydroxyoct-7-en-4-one has a molecular weight of 142.20 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxyoct-7-en-4-one is sourced from PubChem (CID 13293600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).