1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone

C11H18O — CID 70536981

IUPAC1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone
SMILESCC(=O)C1(C)C(C)=CCCC1C
InChIInChI=1S/C11H18O/c1-8-6-5-7-9(2)11(8,4)10(3)12/h6,9H,5,7H2,1-4H3
InChIKeySVCTYQUKXRBABO-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds1

About 1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone

1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone (PubChem CID 70536981) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone
PubChem CID70536981
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone
SMILESCC(=O)C1(C)C(C)=CCCC1C
InChIInChI=1S/C11H18O/c1-8-6-5-7-9(2)11(8,4)10(3)12/h6,9H,5,7H2,1-4H3
InChIKeySVCTYQUKXRBABO-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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

(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal
CID 10998575
1-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone
CID 527185
1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]
CID 176698525
(E)-3-methyl-5-[(1R)-2,2,3-trimethylcyclohex-3-en-1-yl]pent-3-en-2-one
CID 67696985
methyl (2E)-2-[(8R,8aS)-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ylidene]propanoate
CID 6428393
methyl (2E)-2-[(8S,8aR)-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ylidene]propanoate
CID 20837748
1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
CID 130029480
2,6-dimethylcyclohex-2-ene-1-carboxylic acid
CID 45084784
(3S,4R,4aR,8aR)-3,4,8,8a-tetramethyl-4-(3-oxobutyl)-3,4a,5,6-tetrahydro-1H-naphthalen-2-one
CID 10869558
2-[(5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
CID 15558515
2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
CID 5318052
[(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate
CID 175827956

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone?
The IUPAC name of 1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone (CID 70536981) is 1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone.
What is the SMILES notation for 1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone?
The canonical SMILES for 1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone is CC(=O)C1(C)C(C)=CCCC1C.
What is the InChIKey of 1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone?
The InChIKey is SVCTYQUKXRBABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-6-5-7-9(2)11(8,4)10(3)12/h6,9H,5,7H2,1-4H3.
What are the key properties of 1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone?
1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone has a molecular weight of 166.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone is sourced from PubChem (CID 70536981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).