2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one

C11H18O — CID 73047399

IUPAC2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=CCC(C(C)C)C(C)C1=O
InChIInChI=1S/C11H18O/c1-7(2)10-6-5-8(3)11(12)9(10)4/h5,7,9-10H,6H2,1-4H3
InChIKeyDLLLUPGDYWIXGK-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds1

About 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one

2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one (PubChem CID 73047399) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one
PubChem CID73047399
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=CCC(C(C)C)C(C)C1=O
InChIInChI=1S/C11H18O/c1-7(2)10-6-5-8(3)11(12)9(10)4/h5,7,9-10H,6H2,1-4H3
InChIKeyDLLLUPGDYWIXGK-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-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

(3R,4aR,5R)-3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CID 11053140
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
CID 159750866
(2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal
CID 146278116
3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde
CID 101489357
(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
CID 142025260
(4aS,8S,8aS)-5-methyl-2-methylidene-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-1-one
CID 162924579
(3S,4aR,5R)-3-methoxy-3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-one
CID 10944794
(1S,6R,7S,8R)-7,8-dihydroxy-3-methylbicyclo[4.2.1]non-3-en-2-one
CID 130762483
(1R,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
CID 163030211
(4R,4aR,8aR)-5-methyl-7-oxo-4-propan-2-yl-4,4a,8,8a-tetrahydro-3H-naphthalene-1-carboxylic acid
CID 102361382
(1R,4aS,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
CID 96843146
(5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one
CID 10684338

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one (CID 73047399) is 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one is CC1=CCC(C(C)C)C(C)C1=O.
What is the InChIKey of 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is DLLLUPGDYWIXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7(2)10-6-5-8(3)11(12)9(10)4/h5,7,9-10H,6H2,1-4H3.
What are the key properties of 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one?
2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 166.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 73047399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).