2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone

C14H24O2 — CID 116749721

IUPAC2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
SMILESCOC1(C(=O)CC2CCC2)CCCC(C)C1
InChIInChI=1S/C14H24O2/c1-11-5-4-8-14(10-11,16-2)13(15)9-12-6-3-7-12/h11-12H,3-10H2,1-2H3
InChIKeyAQQNCKKYADCDFM-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds4

About 2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone

2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone (PubChem CID 116749721) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
PubChem CID116749721
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
SMILESCOC1(C(=O)CC2CCC2)CCCC(C)C1
InChIInChI=1S/C14H24O2/c1-11-5-4-8-14(10-11,16-2)13(15)9-12-6-3-7-12/h11-12H,3-10H2,1-2H3
InChIKeyAQQNCKKYADCDFM-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone (CID 116749721) is 2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone is COC1(C(=O)CC2CCC2)CCCC(C)C1.
What is the InChIKey of 2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone?
The InChIKey is AQQNCKKYADCDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-5-4-8-14(10-11,16-2)13(15)9-12-6-3-7-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone?
2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone has a molecular weight of 224.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).