2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one

C18H32O — CID 23154684

IUPAC2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one
SMILESCC1CCC(C(C)C)C(C2(C)CCC(C)(C)C2=O)C1
InChIInChI=1S/C18H32O/c1-12(2)14-8-7-13(3)11-15(14)18(6)10-9-17(4,5)16(18)19/h12-15H,7-11H2,1-6H3
InChIKeyFKUDENWAEVRNIT-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.09
Rot. Bonds2

About 2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one

2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one (PubChem CID 23154684) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one
PubChem CID23154684
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one
SMILESCC1CCC(C(C)C)C(C2(C)CCC(C)(C)C2=O)C1
InChIInChI=1S/C18H32O/c1-12(2)14-8-7-13(3)11-15(14)18(6)10-9-17(4,5)16(18)19/h12-15H,7-11H2,1-6H3
InChIKeyFKUDENWAEVRNIT-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxooxolane-2-carboxamide
CID 173101252
1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane
CID 173039410
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
1,3-bis(hydroxymethyl)-5,5-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidine-2,4-dione
CID 19377274
(1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 143887968
hexakis[(-)-menthyl]distannane
CID 86177037
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylic acid
CID 66902539
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
(E)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]prop-2-enal
CID 131236652
trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane
CID 54349624
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one?
The IUPAC name of 2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one (CID 23154684) is 2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one.
What is the SMILES notation for 2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one?
The canonical SMILES for 2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one is CC1CCC(C(C)C)C(C2(C)CCC(C)(C)C2=O)C1.
What is the InChIKey of 2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one?
The InChIKey is FKUDENWAEVRNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-12(2)14-8-7-13(3)11-15(14)18(6)10-9-17(4,5)16(18)19/h12-15H,7-11H2,1-6H3.
What are the key properties of 2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one?
2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one has a molecular weight of 264.45 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one is sourced from PubChem (CID 23154684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).