5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one

C15H24O — CID 65177348

IUPAC5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one
SMILESCC1CCCC(C2=CC(=O)CC(C)(C)C2)C1
InChIInChI=1S/C15H24O/c1-11-5-4-6-12(7-11)13-8-14(16)10-15(2,3)9-13/h8,11-12H,4-7,9-10H2,1-3H3
InChIKeyWIHOVSCQQBJJNH-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.13
Rot. Bonds1

About 5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one

5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one (PubChem CID 65177348) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one
PubChem CID65177348
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one
SMILESCC1CCCC(C2=CC(=O)CC(C)(C)C2)C1
InChIInChI=1S/C15H24O/c1-11-5-4-6-12(7-11)13-8-14(16)10-15(2,3)9-13/h8,11-12H,4-7,9-10H2,1-3H3
InChIKeyWIHOVSCQQBJJNH-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-5,5-dimethylcyclohex-2-en-1-one
CID 14911322
3-(3-methylcyclohexyl)cyclohex-2-en-1-one
CID 65172402
3-(3-methylcyclohexyl)cyclohex-2-en-1-ol
CID 65177378
4-(3-methylcyclohexyl)-1,2-thiazol-3-one
CID 141205940
5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 127004880
copper;3,5,5-trimethylcyclohex-2-en-1-one
CID 159197874
CID 70522560
CID 70522560
3-cyclobutyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320201
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
6,6-dimethylcyclohept-2-ene-1,4-dione
CID 70336025
3-(5-cyclohexyl-2H-triazol-4-yl)-5,5-dimethylcyclohex-2-en-1-one
CID 46904790
3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide
CID 67510926

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one (CID 65177348) is 5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one is CC1CCCC(C2=CC(=O)CC(C)(C)C2)C1.
What is the InChIKey of 5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one?
The InChIKey is WIHOVSCQQBJJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-4-6-12(7-11)13-8-14(16)10-15(2,3)9-13/h8,11-12H,4-7,9-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one?
5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(3-methylcyclohexyl)cyclohex-2-en-1-one is sourced from PubChem (CID 65177348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).