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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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).