2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one

C18H32O — CID 68570602

IUPAC2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one
SMILESCC1CC(C(C)C)CC(C2CC(C)C(=O)C2(C)C)C1
InChIInChI=1S/C18H32O/c1-11(2)14-7-12(3)8-15(10-14)16-9-13(4)17(19)18(16,5)6/h11-16H,7-10H2,1-6H3
InChIKeyJCEPCNKLIMTYRZ-UHFFFAOYSA-N
MW264.45 g/mol
LogP4.95
Rot. Bonds2

About 2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one

2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one (PubChem CID 68570602) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one
PubChem CID68570602
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one
SMILESCC1CC(C(C)C)CC(C2CC(C)C(=O)C2(C)C)C1
InChIInChI=1S/C18H32O/c1-11(2)14-7-12(3)8-15(10-14)16-9-13(4)17(19)18(16,5)6/h11-16H,7-10H2,1-6H3
InChIKeyJCEPCNKLIMTYRZ-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one?
The IUPAC name of 2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one (CID 68570602) is 2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one.
What is the SMILES notation for 2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one?
The canonical SMILES for 2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one is CC1CC(C(C)C)CC(C2CC(C)C(=O)C2(C)C)C1.
What is the InChIKey of 2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one?
The InChIKey is JCEPCNKLIMTYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-11(2)14-7-12(3)8-15(10-14)16-9-13(4)17(19)18(16,5)6/h11-16H,7-10H2,1-6H3.
What are the key properties of 2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one?
2,2,5-trimethyl-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one has a molecular weight of 264.45 g/mol, XLogP of 4.95, 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-3-(3-methyl-5-propan-2-ylcyclohexyl)cyclopentan-1-one is sourced from PubChem (CID 68570602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).