4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one

C16H24O — CID 71428155

IUPAC4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one
SMILESCC(=C1C=CC(=O)CC1)C1CCCC(C)(C)C1
InChIInChI=1S/C16H24O/c1-12(13-6-8-15(17)9-7-13)14-5-4-10-16(2,3)11-14/h6,8,14H,4-5,7,9-11H2,1-3H3
InChIKeyWPYYMZIBFBEEEJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.44
Rot. Bonds1

About 4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one

4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one (PubChem CID 71428155) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one
PubChem CID71428155
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one
SMILESCC(=C1C=CC(=O)CC1)C1CCCC(C)(C)C1
InChIInChI=1S/C16H24O/c1-12(13-6-8-15(17)9-7-13)14-5-4-10-16(2,3)11-14/h6,8,14H,4-5,7,9-11H2,1-3H3
InChIKeyWPYYMZIBFBEEEJ-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Canthaxanthin
CID 5281227
I2-Ionone
CID 638014
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
CID 26955
Beta methyl ionone
CID 5375218
beta-Irone
CID 5375215
Echinenone
CID 5281236
3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-
CID 101539
Sintaxanthin
CID 131751825
2,4,4-Trimethyl-3-((1E)-3-oxo-1-buten-1-yl)-2-cyclohexen-1-one
CID 5363876
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one
CID 61072
Eremophilone
CID 21591457
13-Apo-beta-carotenone
CID 5363697

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one?
The IUPAC name of 4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one (CID 71428155) is 4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one.
What is the SMILES notation for 4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one?
The canonical SMILES for 4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one is CC(=C1C=CC(=O)CC1)C1CCCC(C)(C)C1.
What is the InChIKey of 4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one?
The InChIKey is WPYYMZIBFBEEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12(13-6-8-15(17)9-7-13)14-5-4-10-16(2,3)11-14/h6,8,14H,4-5,7,9-11H2,1-3H3.
What are the key properties of 4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one?
4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one has a molecular weight of 232.37 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,3-dimethylcyclohexyl)ethylidene]cyclohex-2-en-1-one is sourced from PubChem (CID 71428155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).