6-hydroxy-2,6-dimethyloct-7-en-3-one

C10H18O2 — CID 15000410

IUPAC6-hydroxy-2,6-dimethyloct-7-en-3-one
SMILESC=CC(C)(O)CCC(=O)C(C)C
InChIInChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,8,12H,1,6-7H2,2-4H3
InChIKeyFRFZFDLWCJLCSG-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds5

About 6-hydroxy-2,6-dimethyloct-7-en-3-one

6-hydroxy-2,6-dimethyloct-7-en-3-one (PubChem CID 15000410) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-hydroxy-2,6-dimethyloct-7-en-3-one.

Molecular Properties

Compound Name6-hydroxy-2,6-dimethyloct-7-en-3-one
PubChem CID15000410
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-hydroxy-2,6-dimethyloct-7-en-3-one
SMILESC=CC(C)(O)CCC(=O)C(C)C
InChIInChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,8,12H,1,6-7H2,2-4H3
InChIKeyFRFZFDLWCJLCSG-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-hydroxy-2,6-dimethyloct-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

Tagetonol
CID 522417
6-Hydroxy-2,6-dimethyloct-7-enoic acid
CID 59229404
2,6-Dihydroxy-2,6-dimethyloct-7-EN-3-one
CID 71324057
6-Ethyl-6-hydroxyoct-7-en-3-one
CID 10678750
3-Hydroxy-3,7,7-trimethylnona-1,8-dien-5-one
CID 14893868
1-(4-Hydroxy-1,4-dimethylcyclopent-2-en-1-yl)-2-methylpropan-1-one
CID 21578392
3-Ethyl-3-hydroxy-7-methylnon-1-en-5-one
CID 21079516
6-Hydroxy-2,6-dimethyloct-7-enoate
CID 59229403
3-Hydroxy-3,7-dimethyloct-1-en-4-one
CID 88789844
(6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one
CID 90246590
2-Hydroxy-2,6-dimethyloct-7-en-3-one
CID 91603766
2-Hydroxy-2-methyl-5-propan-2-ylhept-6-en-3-one
CID 123265248

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,6-dimethyloct-7-en-3-one?
The IUPAC name of 6-hydroxy-2,6-dimethyloct-7-en-3-one (CID 15000410) is 6-hydroxy-2,6-dimethyloct-7-en-3-one.
What is the SMILES notation for 6-hydroxy-2,6-dimethyloct-7-en-3-one?
The canonical SMILES for 6-hydroxy-2,6-dimethyloct-7-en-3-one is C=CC(C)(O)CCC(=O)C(C)C.
What is the InChIKey of 6-hydroxy-2,6-dimethyloct-7-en-3-one?
The InChIKey is FRFZFDLWCJLCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,8,12H,1,6-7H2,2-4H3.
What are the key properties of 6-hydroxy-2,6-dimethyloct-7-en-3-one?
6-hydroxy-2,6-dimethyloct-7-en-3-one has a molecular weight of 170.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,6-dimethyloct-7-en-3-one is sourced from PubChem (CID 15000410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).