1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone

C12H20O — CID 163321522

IUPAC1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone
SMILESCC(=O)C1=CCC(C)(C)CC1(C)C
InChIInChI=1S/C12H20O/c1-9(13)10-6-7-11(2,3)8-12(10,4)5/h6H,7-8H2,1-5H3
InChIKeyRUQQJLWKDLSPAV-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.35
Rot. Bonds1

About 1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone

1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone (PubChem CID 163321522) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone
PubChem CID163321522
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone
SMILESCC(=O)C1=CCC(C)(C)CC1(C)C
InChIInChI=1S/C12H20O/c1-9(13)10-6-7-11(2,3)8-12(10,4)5/h6H,7-8H2,1-5H3
InChIKeyRUQQJLWKDLSPAV-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(+)-Nootkatone
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beta-DAMASCONE
CID 5374527
Ketoisophorone
CID 62374
DIHYDRO-beta-IONONE
CID 519382
Beta methyl ionone
CID 5375218
(+-)-Cashmeran
CID 92292
beta-ISOMETHYLIONONE
CID 5372195
(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
CID 5366077
1-(5,5-Dimethylcyclohexen-1-yl)pent-4-en-1-one
CID 92606
1,4-Dimethyl-3-cyclohexenyl methyl ketone
CID 65289

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone?
The IUPAC name of 1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone (CID 163321522) is 1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone is CC(=O)C1=CCC(C)(C)CC1(C)C.
What is the InChIKey of 1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone?
The InChIKey is RUQQJLWKDLSPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9(13)10-6-7-11(2,3)8-12(10,4)5/h6H,7-8H2,1-5H3.
What are the key properties of 1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone?
1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone has a molecular weight of 180.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,6,6-tetramethylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 163321522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).