1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one

C13H24O2 — CID 116749813

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
SMILESCCOC1(C(=O)C(C)C)CCCC(C)C1
InChIInChI=1S/C13H24O2/c1-5-15-13(12(14)10(2)3)8-6-7-11(4)9-13/h10-11H,5-9H2,1-4H3
InChIKeyHCADWAOFUSPVTI-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.20
Rot. Bonds4

About 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one

1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one (PubChem CID 116749813) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
PubChem CID116749813
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
SMILESCCOC1(C(=O)C(C)C)CCCC(C)C1
InChIInChI=1S/C13H24O2/c1-5-15-13(12(14)10(2)3)8-6-7-11(4)9-13/h10-11H,5-9H2,1-4H3
InChIKeyHCADWAOFUSPVTI-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116749940
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749804
1-(1-ethoxy-3-methylcyclohexyl)prop-2-en-1-one
CID 116749931
1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
CID 116749779
2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541
1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
CID 116749856
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one (CID 116749813) is 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one is CCOC1(C(=O)C(C)C)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one?
The InChIKey is HCADWAOFUSPVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-15-13(12(14)10(2)3)8-6-7-11(4)9-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one?
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one is sourced from PubChem (CID 116749813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).