6-ethenyl-4,4-dimethylcyclohex-2-en-1-one

C10H14O — CID 18320097

IUPAC6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
SMILESC=CC1CC(C)(C)C=CC1=O
InChIInChI=1S/C10H14O/c1-4-8-7-10(2,3)6-5-9(8)11/h4-6,8H,1,7H2,2-3H3
InChIKeyRJTFMCSOIQOOKC-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.34
Rot. Bonds1

About 6-ethenyl-4,4-dimethylcyclohex-2-en-1-one

6-ethenyl-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320097) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-ethenyl-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320097
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
SMILESC=CC1CC(C)(C)C=CC1=O
InChIInChI=1S/C10H14O/c1-4-8-7-10(2,3)6-5-9(8)11/h4-6,8H,1,7H2,2-3H3
InChIKeyRJTFMCSOIQOOKC-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.34
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

(5,5-dimethyl-2-oxocyclohex-3-en-1-yl) formate
CID 18320359
6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 18320357
5,5-dimethyl-2-oxocyclohex-3-ene-1-carboxamide
CID 140979530
6-(azetidin-1-ylmethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 140979496
5-ethenylcyclohex-2-ene-1,4-dione
CID 102077325
6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 18320134
4,4-dimethyl-6-(1,2-oxazol-3-yl)cyclohex-2-en-1-one
CID 18320290
4,4-dimethyl-6-(1H-pyrrol-2-yl)cyclohex-2-en-1-one
CID 140979475
4,4-dimethyl-6-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 18320148
(5,5-dimethyl-2-oxocyclohex-3-en-1-yl) butanoate
CID 18320264
6-[hydroxy-(4-nitrophenyl)methyl]-4,4-dimethylcyclohex-2-en-1-one
CID 102295657
trans-(3R,5R)-3,5-bis(ethenyl)-4,4-dimethylcyclohexan-1-one
CID 11513853

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 6-ethenyl-4,4-dimethylcyclohex-2-en-1-one (CID 18320097) is 6-ethenyl-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 6-ethenyl-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 6-ethenyl-4,4-dimethylcyclohex-2-en-1-one is C=CC1CC(C)(C)C=CC1=O.
What is the InChIKey of 6-ethenyl-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is RJTFMCSOIQOOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-4-8-7-10(2,3)6-5-9(8)11/h4-6,8H,1,7H2,2-3H3.
What are the key properties of 6-ethenyl-4,4-dimethylcyclohex-2-en-1-one?
6-ethenyl-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).