3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one

C14H22O — CID 14911322

IUPAC3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(C2CCCCC2)C1
InChIInChI=1S/C14H22O/c1-14(2)9-12(8-13(15)10-14)11-6-4-3-5-7-11/h8,11H,3-7,9-10H2,1-2H3
InChIKeyWNIRYSZHXFCLCA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.88
Rot. Bonds1

About 3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one

3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 14911322) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one
PubChem CID14911322
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(C2CCCCC2)C1
InChIInChI=1S/C14H22O/c1-14(2)9-12(8-13(15)10-14)11-6-4-3-5-7-11/h8,11H,3-7,9-10H2,1-2H3
InChIKeyWNIRYSZHXFCLCA-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one (CID 14911322) is 3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one is CC1(C)CC(=O)C=C(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is WNIRYSZHXFCLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-14(2)9-12(8-13(15)10-14)11-6-4-3-5-7-11/h8,11H,3-7,9-10H2,1-2H3.
What are the key properties of 3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one?
3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 206.33 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 14911322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).