cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone

C14H24O2 — CID 116749804

IUPACcyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone
SMILESCCOC1(C(=O)C2CCC2)CCCC(C)C1
InChIInChI=1S/C14H24O2/c1-3-16-14(9-5-6-11(2)10-14)13(15)12-7-4-8-12/h11-12H,3-10H2,1-2H3
InChIKeyJXXORDGFKVVXEV-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds4

About cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone

cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone (PubChem CID 116749804) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone.

Molecular Properties

Compound Namecyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone
PubChem CID116749804
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namecyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone
SMILESCCOC1(C(=O)C2CCC2)CCCC(C)C1
InChIInChI=1S/C14H24O2/c1-3-16-14(9-5-6-11(2)10-14)13(15)12-7-4-8-12/h11-12H,3-10H2,1-2H3
InChIKeyJXXORDGFKVVXEV-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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Related Compounds

cyclobutyl-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749325
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
1-(1-ethoxy-3-methylcyclohexyl)prop-2-en-1-one
CID 116749931
1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
CID 116749779
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
CID 116749474
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-ethoxy-3-methylcyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116749940
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
cyclobutyl-(1-methoxycyclobutyl)methanone
CID 116706787
2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone?
The IUPAC name of cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone (CID 116749804) is cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone.
What is the SMILES notation for cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone?
The canonical SMILES for cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone is CCOC1(C(=O)C2CCC2)CCCC(C)C1.
What is the InChIKey of cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone?
The InChIKey is JXXORDGFKVVXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-16-14(9-5-6-11(2)10-14)13(15)12-7-4-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone?
cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone 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 cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone is sourced from PubChem (CID 116749804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).