3-cyclobutyl-4-propylcyclohexan-1-one

C13H22O — CID 165496459

IUPAC3-cyclobutyl-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)CC1C1CCC1
InChIInChI=1S/C13H22O/c1-2-4-10-7-8-12(14)9-13(10)11-5-3-6-11/h10-11,13H,2-9H2,1H3
InChIKeyLPCAMPTZGFLMEH-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds3

About 3-cyclobutyl-4-propylcyclohexan-1-one

3-cyclobutyl-4-propylcyclohexan-1-one (PubChem CID 165496459) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-cyclobutyl-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name3-cyclobutyl-4-propylcyclohexan-1-one
PubChem CID165496459
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-cyclobutyl-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)CC1C1CCC1
InChIInChI=1S/C13H22O/c1-2-4-10-7-8-12(14)9-13(10)11-5-3-6-11/h10-11,13H,2-9H2,1H3
InChIKeyLPCAMPTZGFLMEH-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-propylcyclohexan-1-one?
The IUPAC name of 3-cyclobutyl-4-propylcyclohexan-1-one (CID 165496459) is 3-cyclobutyl-4-propylcyclohexan-1-one.
What is the SMILES notation for 3-cyclobutyl-4-propylcyclohexan-1-one?
The canonical SMILES for 3-cyclobutyl-4-propylcyclohexan-1-one is CCCC1CCC(=O)CC1C1CCC1.
What is the InChIKey of 3-cyclobutyl-4-propylcyclohexan-1-one?
The InChIKey is LPCAMPTZGFLMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-4-10-7-8-12(14)9-13(10)11-5-3-6-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-cyclobutyl-4-propylcyclohexan-1-one?
3-cyclobutyl-4-propylcyclohexan-1-one has a molecular weight of 194.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-propylcyclohexan-1-one is sourced from PubChem (CID 165496459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).