6-ethyl-6-hydroxyoct-7-en-3-one

C10H18O2 — CID 10678750

IUPAC6-ethyl-6-hydroxyoct-7-en-3-one
SMILESC=CC(O)(CC)CCC(=O)CC
InChIInChI=1S/C10H18O2/c1-4-9(11)7-8-10(12,5-2)6-3/h5,12H,2,4,6-8H2,1,3H3
InChIKeySTZQTJJDDPJXNN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds6

About 6-ethyl-6-hydroxyoct-7-en-3-one

6-ethyl-6-hydroxyoct-7-en-3-one (PubChem CID 10678750) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-ethyl-6-hydroxyoct-7-en-3-one.

Molecular Properties

Compound Name6-ethyl-6-hydroxyoct-7-en-3-one
PubChem CID10678750
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-ethyl-6-hydroxyoct-7-en-3-one
SMILESC=CC(O)(CC)CCC(=O)CC
InChIInChI=1S/C10H18O2/c1-4-9(11)7-8-10(12,5-2)6-3/h5,12H,2,4,6-8H2,1,3H3
InChIKeySTZQTJJDDPJXNN-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethyl-6-hydroxyoct-7-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

Related Compounds

6-Hydroxy-2,6-dimethyl-7-octen-3-one
CID 15000410
4-Ethenyl-4-hydroxycyclohexan-1-one
CID 23249592
9-Ethenyl-9-hydroxytetradecan-7-one
CID 90778722
3-Ethyl-3-hydroxynon-1-en-4-one
CID 91012435
6-Hydroxy-6-prop-2-enylnon-8-en-2-one
CID 135023446
2,6-Dihydroxy-2,6-dimethyloct-7-EN-3-one
CID 71324057
2-Ethenyl-2-hydroxycyclododecan-1-one
CID 86001279
3-Ethyl-3-hydroxy-7-methylnon-1-en-5-one
CID 21079516
7-Ethenyl-7-hydroxydodecanal
CID 57148891
5-Hydroxy-5-prop-1-enylnonane-2,8-dione
CID 57168205
6-Hydroxy-2,6-dimethyloct-1-en-3-one
CID 57214641
4-But-3-enyl-4-hydroxycyclohexan-1-one;ethene
CID 70063850

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-hydroxyoct-7-en-3-one?
The IUPAC name of 6-ethyl-6-hydroxyoct-7-en-3-one (CID 10678750) is 6-ethyl-6-hydroxyoct-7-en-3-one.
What is the SMILES notation for 6-ethyl-6-hydroxyoct-7-en-3-one?
The canonical SMILES for 6-ethyl-6-hydroxyoct-7-en-3-one is C=CC(O)(CC)CCC(=O)CC.
What is the InChIKey of 6-ethyl-6-hydroxyoct-7-en-3-one?
The InChIKey is STZQTJJDDPJXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-9(11)7-8-10(12,5-2)6-3/h5,12H,2,4,6-8H2,1,3H3.
What are the key properties of 6-ethyl-6-hydroxyoct-7-en-3-one?
6-ethyl-6-hydroxyoct-7-en-3-one has a molecular weight of 170.25 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-hydroxyoct-7-en-3-one is sourced from PubChem (CID 10678750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).