2,7-dimethylcyclohepta-2,6-dien-1-one

C9H12O — CID 130027254

IUPAC2,7-dimethylcyclohepta-2,6-dien-1-one
SMILESCC1=CCCC=C(C)C1=O
InChIInChI=1S/C9H12O/c1-7-5-3-4-6-8(2)9(7)10/h5-6H,3-4H2,1-2H3
InChIKeyOVGLNGCBNHVRHY-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.24
Rot. Bonds

About 2,7-dimethylcyclohepta-2,6-dien-1-one

2,7-dimethylcyclohepta-2,6-dien-1-one (PubChem CID 130027254) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2,7-dimethylcyclohepta-2,6-dien-1-one.

Molecular Properties

Compound Name2,7-dimethylcyclohepta-2,6-dien-1-one
PubChem CID130027254
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2,7-dimethylcyclohepta-2,6-dien-1-one
SMILESCC1=CCCC=C(C)C1=O
InChIInChI=1S/C9H12O/c1-7-5-3-4-6-8(2)9(7)10/h5-6H,3-4H2,1-2H3
InChIKeyOVGLNGCBNHVRHY-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,7-dimethylcyclohepta-2,6-dien-1-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

(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one
CID 131236041
2,6-dimethylcyclohex-2-en-1-one
CID 123183212
N,N,6-trimethylcyclohexa-1,5-dien-1-amine
CID 91143349
(6-methylcyclohexa-1,5-dien-1-yl) hypoiodite
CID 144929888
(6-methylcyclohexa-1,5-dien-1-yl) hydrogen carbonate
CID 173264041
(5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one
CID 90473733
2,6-dimethyl-4-sulfanylidenecyclohexa-2,5-dien-1-one
CID 100937387
(1Z,5Z)-cycloocta-1,5-diene;nickel;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
CID 88698930
(2E,6Z)-2,6-dimethylcyclodeca-2,6-dien-1-one
CID 131886364
2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene
CID 142017090
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
(2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one
CID 101475135

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylcyclohepta-2,6-dien-1-one?
The IUPAC name of 2,7-dimethylcyclohepta-2,6-dien-1-one (CID 130027254) is 2,7-dimethylcyclohepta-2,6-dien-1-one.
What is the SMILES notation for 2,7-dimethylcyclohepta-2,6-dien-1-one?
The canonical SMILES for 2,7-dimethylcyclohepta-2,6-dien-1-one is CC1=CCCC=C(C)C1=O.
What is the InChIKey of 2,7-dimethylcyclohepta-2,6-dien-1-one?
The InChIKey is OVGLNGCBNHVRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-7-5-3-4-6-8(2)9(7)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,7-dimethylcyclohepta-2,6-dien-1-one?
2,7-dimethylcyclohepta-2,6-dien-1-one has a molecular weight of 136.19 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylcyclohepta-2,6-dien-1-one is sourced from PubChem (CID 130027254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).