2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one

C15H24O2 — CID 10944446

IUPAC2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CC(=O)C(C)C(C2CCCC2=O)C1
InChIInChI=1S/C15H24O2/c1-9(2)11-7-13(10(3)15(17)8-11)12-5-4-6-14(12)16/h9-13H,4-8H2,1-3H3
InChIKeyNAVSNXCMGDDFGO-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.24
Rot. Bonds2

About 2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one

2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one (PubChem CID 10944446) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one
PubChem CID10944446
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CC(=O)C(C)C(C2CCCC2=O)C1
InChIInChI=1S/C15H24O2/c1-9(2)11-7-13(10(3)15(17)8-11)12-5-4-6-14(12)16/h9-13H,4-8H2,1-3H3
InChIKeyNAVSNXCMGDDFGO-UHFFFAOYSA-N
XLogP3.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-
CID 162030
Isoacorone
CID 11402120
2,3,6-Trimethylcyclohexan-1-one
CID 142583
Epiacorone
CID 98934
Acorone
CID 5316254
2-Isopropyl-5-methylcyclohexane-1,3-dione
CID 11988138
(2R,3S,6S)-3-methyl-2-(3-oxobutyl)-6-propan-2-ylcyclohexan-1-one
CID 11085451
(2R,3S,6R)-2-ethyl-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 15241196
3-Methyl-6-(propan-2-yl)cyclohexane-1,2-dione
CID 13740009
Bicyclo[3.2.1]octan-6-one, 4,8,8-trimethyl-5-(3-oxobutyl)-, (1R,4R,5R)-
CID 85806500
1-[2-Oxo-5-(4-propylcyclohexyl)cyclohexyl]butane-1,3-dione
CID 172444791
1-(5-Methyl-2-oxocyclohexyl)butane-1,3-dione
CID 172446419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one (CID 10944446) is 2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one is CC(C)C1CC(=O)C(C)C(C2CCCC2=O)C1.
What is the InChIKey of 2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one?
The InChIKey is NAVSNXCMGDDFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)11-7-13(10(3)15(17)8-11)12-5-4-6-14(12)16/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one?
2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 10944446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).