2-ethenyl-2,6-dimethylcyclohexan-1-one

C10H16O — CID 12870171

IUPAC2-ethenyl-2,6-dimethylcyclohexan-1-one
SMILESC=CC1(C)CCCC(C)C1=O
InChIInChI=1S/C10H16O/c1-4-10(3)7-5-6-8(2)9(10)11/h4,8H,1,5-7H2,2-3H3
InChIKeyXCKISADUBZGOIL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About 2-ethenyl-2,6-dimethylcyclohexan-1-one

2-ethenyl-2,6-dimethylcyclohexan-1-one (PubChem CID 12870171) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-ethenyl-2,6-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-ethenyl-2,6-dimethylcyclohexan-1-one
PubChem CID12870171
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-ethenyl-2,6-dimethylcyclohexan-1-one
SMILESC=CC1(C)CCCC(C)C1=O
InChIInChI=1S/C10H16O/c1-4-10(3)7-5-6-8(2)9(10)11/h4,8H,1,5-7H2,2-3H3
InChIKeyXCKISADUBZGOIL-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one
CID 175586261
(1S,2R,4S,7R,8S,14R)-4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecane-3,9-dione
CID 164710685
2-(4-tert-butylphenyl)-2,6-dimethylcyclohexan-1-one
CID 22558549
(4aS,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 6428338
(2R,3S,6S)-3-butyl-2-ethenyl-2,6-dimethylcyclohexan-1-one
CID 101171000
(2R,4aS)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 67848050
5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one
CID 14062851
methyl 1-chloro-3-methyl-2-oxocyclohexane-1-carboxylate
CID 102089438
8-methyl-1,4-dioxaspiro[4.4]nonan-9-one
CID 11062628
2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
CID 12835446
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
(1S,2R,4S,6R,7R,9R)-4-ethenyl-6-hydroxy-2,4,7,9,14-pentamethyltricyclo[5.4.3.01,8]tetradecan-3-one
CID 58306379

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,6-dimethylcyclohexan-1-one?
The IUPAC name of 2-ethenyl-2,6-dimethylcyclohexan-1-one (CID 12870171) is 2-ethenyl-2,6-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-ethenyl-2,6-dimethylcyclohexan-1-one?
The canonical SMILES for 2-ethenyl-2,6-dimethylcyclohexan-1-one is C=CC1(C)CCCC(C)C1=O.
What is the InChIKey of 2-ethenyl-2,6-dimethylcyclohexan-1-one?
The InChIKey is XCKISADUBZGOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-10(3)7-5-6-8(2)9(10)11/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-ethenyl-2,6-dimethylcyclohexan-1-one?
2-ethenyl-2,6-dimethylcyclohexan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,6-dimethylcyclohexan-1-one is sourced from PubChem (CID 12870171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).