2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one

C16H26O — CID 71400842

IUPAC2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one
SMILESCC1=C(CCCC2CCCCC2)C(=O)CCC1
InChIInChI=1S/C16H26O/c1-13-7-5-12-16(17)15(13)11-6-10-14-8-3-2-4-9-14/h14H,2-12H2,1H3
InChIKeyHLVXFRUPGLUVHY-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.81
Rot. Bonds4

About 2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one

2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one (PubChem CID 71400842) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one
PubChem CID71400842
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one
SMILESCC1=C(CCCC2CCCCC2)C(=O)CCC1
InChIInChI=1S/C16H26O/c1-13-7-5-12-16(17)15(13)11-6-10-14-8-3-2-4-9-14/h14H,2-12H2,1H3
InChIKeyHLVXFRUPGLUVHY-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one?
The IUPAC name of 2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one (CID 71400842) is 2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for 2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one?
The canonical SMILES for 2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one is CC1=C(CCCC2CCCCC2)C(=O)CCC1.
What is the InChIKey of 2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one?
The InChIKey is HLVXFRUPGLUVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-13-7-5-12-16(17)15(13)11-6-10-14-8-3-2-4-9-14/h14H,2-12H2,1H3.
What are the key properties of 2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one?
2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one has a molecular weight of 234.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 71400842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).