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

(3aS,7aR)-1-methyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 10534861
cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
CID 126671040
9-iodo-3,4,4a,6,7,8,9,9a-octahydro-2H-benzo[7]annulene-1,5-dione
CID 10924773
(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
CID 102156481
(3S,3aR,5R,8S,8aS)-3,8-dimethyl-5-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one
CID 164974634
(3S,3aS,5R,8S,8aS)-3,8-dimethyl-5-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one;(3S,3aS,5R,8S,8aR)-3,8-dimethyl-5-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one;(3S,3aR,5R,8S,8aS)-3,8-dimethyl-5-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one
CID 164979688
16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione
CID 175059338
3,4,4a,5,7,8,9,9a-octahydro-2H-benzo[7]annulene-1,6-dione
CID 13403967
2-(3,4-dimethylcyclohexyl)cyclopentan-1-one
CID 64737860
1-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one
CID 163388924
2-(2-hydroxycycloheptyl)-4-propan-2-ylcyclohexan-1-one
CID 79417161
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314

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).