2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone

C14H24O2 — CID 116749855

IUPAC2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)CC2CC2)CCCC(C)C1
InChIInChI=1S/C14H24O2/c1-3-16-14(8-4-5-11(2)10-14)13(15)9-12-6-7-12/h11-12H,3-10H2,1-2H3
InChIKeyCZWHEORSCDNQGU-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds5

About 2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone

2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone (PubChem CID 116749855) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
PubChem CID116749855
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)CC2CC2)CCCC(C)C1
InChIInChI=1S/C14H24O2/c1-3-16-14(8-4-5-11(2)10-14)13(15)9-12-6-7-12/h11-12H,3-10H2,1-2H3
InChIKeyCZWHEORSCDNQGU-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749721
1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
CID 116749779
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749804
1-(1-ethoxy-3-methylcyclohexyl)prop-2-en-1-one
CID 116749931
2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone
CID 116750829
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749839
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-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone
CID 116579394

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone (CID 116749855) is 2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone is CCOC1(C(=O)CC2CC2)CCCC(C)C1.
What is the InChIKey of 2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The InChIKey is CZWHEORSCDNQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-16-14(8-4-5-11(2)10-14)13(15)9-12-6-7-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone has a molecular weight of 224.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).