1-hydroxy-7-methyloct-6-en-3-one

C9H16O2 — CID 71442814

IUPAC1-hydroxy-7-methyloct-6-en-3-one
SMILESCC(C)=CCCC(=O)CCO
InChIInChI=1S/C9H16O2/c1-8(2)4-3-5-9(11)6-7-10/h4,10H,3,5-7H2,1-2H3
InChIKeyGPXGUXXMIXUMSC-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.68
Rot. Bonds5

About 1-hydroxy-7-methyloct-6-en-3-one

1-hydroxy-7-methyloct-6-en-3-one (PubChem CID 71442814) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-hydroxy-7-methyloct-6-en-3-one.

Molecular Properties

Compound Name1-hydroxy-7-methyloct-6-en-3-one
PubChem CID71442814
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-hydroxy-7-methyloct-6-en-3-one
SMILESCC(C)=CCCC(=O)CCO
InChIInChI=1S/C9H16O2/c1-8(2)4-3-5-9(11)6-7-10/h4,10H,3,5-7H2,1-2H3
InChIKeyGPXGUXXMIXUMSC-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hydroxy-7-methyloct-6-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7-methyloct-6-en-3-one?
The IUPAC name of 1-hydroxy-7-methyloct-6-en-3-one (CID 71442814) is 1-hydroxy-7-methyloct-6-en-3-one.
What is the SMILES notation for 1-hydroxy-7-methyloct-6-en-3-one?
The canonical SMILES for 1-hydroxy-7-methyloct-6-en-3-one is CC(C)=CCCC(=O)CCO.
What is the InChIKey of 1-hydroxy-7-methyloct-6-en-3-one?
The InChIKey is GPXGUXXMIXUMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)4-3-5-9(11)6-7-10/h4,10H,3,5-7H2,1-2H3.
What are the key properties of 1-hydroxy-7-methyloct-6-en-3-one?
1-hydroxy-7-methyloct-6-en-3-one has a molecular weight of 156.22 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7-methyloct-6-en-3-one is sourced from PubChem (CID 71442814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).