4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one

C12H20O — CID 141082850

IUPAC4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one
SMILESC=CC1CCC(=O)C(C)(C)C1(C)C
InChIInChI=1S/C12H20O/c1-6-9-7-8-10(13)12(4,5)11(9,2)3/h6,9H,1,7-8H2,2-5H3
InChIKeyALFPLGKOLHSKMS-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.20
Rot. Bonds1

About 4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one

4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one (PubChem CID 141082850) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one.

Molecular Properties

Compound Name4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one
PubChem CID141082850
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one
SMILESC=CC1CCC(=O)C(C)(C)C1(C)C
InChIInChI=1S/C12H20O/c1-6-9-7-8-10(13)12(4,5)11(9,2)3/h6,9H,1,7-8H2,2-5H3
InChIKeyALFPLGKOLHSKMS-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one?
The IUPAC name of 4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one (CID 141082850) is 4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one.
What is the SMILES notation for 4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one?
The canonical SMILES for 4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one is C=CC1CCC(=O)C(C)(C)C1(C)C.
What is the InChIKey of 4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one?
The InChIKey is ALFPLGKOLHSKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-6-9-7-8-10(13)12(4,5)11(9,2)3/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one?
4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one is sourced from PubChem (CID 141082850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).