3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one

C15H26O2 — CID 116749443

IUPAC3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one
SMILESCCOC1(C(=O)CCC2CC2)CCC(C)CC1
InChIInChI=1S/C15H26O2/c1-3-17-15(10-8-12(2)9-11-15)14(16)7-6-13-4-5-13/h12-13H,3-11H2,1-2H3
InChIKeyNOHVGXHRGJNYJR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.73
Rot. Bonds6

About 3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one

3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one (PubChem CID 116749443) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one
PubChem CID116749443
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one
SMILESCCOC1(C(=O)CCC2CC2)CCC(C)CC1
InChIInChI=1S/C15H26O2/c1-3-17-15(10-8-12(2)9-11-15)14(16)7-6-13-4-5-13/h12-13H,3-11H2,1-2H3
InChIKeyNOHVGXHRGJNYJR-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-4-methoxybutan-1-one
CID 114854425
1-(1-ethoxy-4-methylcyclohexyl)-3-methylbutan-1-one
CID 116749440
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
CID 116749474
cyclobutyl-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749325
1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-one
CID 116749467
2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749129
1-ethoxy-4-methylcyclohexane-1-carboximidamide
CID 116740221
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
1-(1-ethoxycycloheptyl)-3-(oxolan-2-yl)propan-1-one
CID 116750803
2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone
CID 116750829
1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide
CID 116779952

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one (CID 116749443) is 3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one is CCOC1(C(=O)CCC2CC2)CCC(C)CC1.
What is the InChIKey of 3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one?
The InChIKey is NOHVGXHRGJNYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-17-15(10-8-12(2)9-11-15)14(16)7-6-13-4-5-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one?
3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one is sourced from PubChem (CID 116749443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).