4-methyl-2-(2-oxopropyl)cyclohexan-1-one

C10H16O2 — CID 24974245

IUPAC4-methyl-2-(2-oxopropyl)cyclohexan-1-one
SMILESCC(=O)CC1CC(C)CCC1=O
InChIInChI=1S/C10H16O2/c1-7-3-4-10(12)9(5-7)6-8(2)11/h7,9H,3-6H2,1-2H3
InChIKeyLBSUQMCLHDLMPD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.97
Rot. Bonds2

About 4-methyl-2-(2-oxopropyl)cyclohexan-1-one

4-methyl-2-(2-oxopropyl)cyclohexan-1-one (PubChem CID 24974245) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methyl-2-(2-oxopropyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-(2-oxopropyl)cyclohexan-1-one
PubChem CID24974245
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methyl-2-(2-oxopropyl)cyclohexan-1-one
SMILESCC(=O)CC1CC(C)CCC1=O
InChIInChI=1S/C10H16O2/c1-7-3-4-10(12)9(5-7)6-8(2)11/h7,9H,3-6H2,1-2H3
InChIKeyLBSUQMCLHDLMPD-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxopropyl)cyclohexan-1-one?
The IUPAC name of 4-methyl-2-(2-oxopropyl)cyclohexan-1-one (CID 24974245) is 4-methyl-2-(2-oxopropyl)cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-(2-oxopropyl)cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-(2-oxopropyl)cyclohexan-1-one is CC(=O)CC1CC(C)CCC1=O.
What is the InChIKey of 4-methyl-2-(2-oxopropyl)cyclohexan-1-one?
The InChIKey is LBSUQMCLHDLMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-3-4-10(12)9(5-7)6-8(2)11/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-(2-oxopropyl)cyclohexan-1-one?
4-methyl-2-(2-oxopropyl)cyclohexan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxopropyl)cyclohexan-1-one is sourced from PubChem (CID 24974245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).