8-hydroxy-2,6-dimethyloct-1-en-3-one

C10H18O2 — CID 14168634

IUPAC8-hydroxy-2,6-dimethyloct-1-en-3-one
SMILESC=C(C)C(=O)CCC(C)CCO
InChIInChI=1S/C10H18O2/c1-8(2)10(12)5-4-9(3)6-7-11/h9,11H,1,4-7H2,2-3H3
InChIKeyWCTAKMJNTUTHSY-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds6

About 8-hydroxy-2,6-dimethyloct-1-en-3-one

8-hydroxy-2,6-dimethyloct-1-en-3-one (PubChem CID 14168634) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 8-hydroxy-2,6-dimethyloct-1-en-3-one.

Molecular Properties

Compound Name8-hydroxy-2,6-dimethyloct-1-en-3-one
PubChem CID14168634
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name8-hydroxy-2,6-dimethyloct-1-en-3-one
SMILESC=C(C)C(=O)CCC(C)CCO
InChIInChI=1S/C10H18O2/c1-8(2)10(12)5-4-9(3)6-7-11/h9,11H,1,4-7H2,2-3H3
InChIKeyWCTAKMJNTUTHSY-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 8-hydroxy-2,6-dimethyloct-1-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

Cyperusol B2
CID 11310916
Cyperusol B1
CID 11368366
(3S,7R,10R,12R,13R)-12-hydroxy-3,7,13-trimethyl-10-prop-1-en-2-ylcyclotetradecane-1,6-dione
CID 56834596
(3R,4R,6R,9R,10R,13S)-4,10-dihydroxy-3,9,13-trimethyl-6-prop-1-en-2-ylcyclotetradecan-1-one
CID 56834597
8R-Dihydroplexaurolone
CID 56834598
4-((1R,4S)-4-(5-hydroxypent-1-en-2-yl)-2,2-dimethylcyclobutyl)butan-2-one
CID 12097073
6-(7-Hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one
CID 10988344
(3R,7R,10R,12R,13R)-12-hydroxy-3,7,13-trimethyl-10-prop-1-en-2-ylcyclotetradecane-1,6-dione
CID 14218834
2-[(2S,5R)-5-hydroxy-2-prop-1-en-2-ylhexyl]-3-methylcyclopent-2-en-1-one
CID 162819126
2-[(2S,5S)-5-hydroxy-2-prop-1-en-2-ylhexyl]-3-methylcyclopent-2-en-1-one
CID 162819127
4-[(1S,4R)-4-(5-hydroxypent-1-en-2-yl)-2,2-dimethylcyclobutyl]butan-2-one
CID 163071239
(6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one
CID 163094915

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,6-dimethyloct-1-en-3-one?
The IUPAC name of 8-hydroxy-2,6-dimethyloct-1-en-3-one (CID 14168634) is 8-hydroxy-2,6-dimethyloct-1-en-3-one.
What is the SMILES notation for 8-hydroxy-2,6-dimethyloct-1-en-3-one?
The canonical SMILES for 8-hydroxy-2,6-dimethyloct-1-en-3-one is C=C(C)C(=O)CCC(C)CCO.
What is the InChIKey of 8-hydroxy-2,6-dimethyloct-1-en-3-one?
The InChIKey is WCTAKMJNTUTHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)10(12)5-4-9(3)6-7-11/h9,11H,1,4-7H2,2-3H3.
What are the key properties of 8-hydroxy-2,6-dimethyloct-1-en-3-one?
8-hydroxy-2,6-dimethyloct-1-en-3-one has a molecular weight of 170.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,6-dimethyloct-1-en-3-one is sourced from PubChem (CID 14168634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).