1-cyclobutyl-2-ethoxy-2-methylpropan-1-one

C10H18O2 — CID 116710085

IUPAC1-cyclobutyl-2-ethoxy-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)C1CCC1
InChIInChI=1S/C10H18O2/c1-4-12-10(2,3)9(11)8-6-5-7-8/h8H,4-7H2,1-3H3
InChIKeyUEXIJGXQUJCQTK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds4

About 1-cyclobutyl-2-ethoxy-2-methylpropan-1-one

1-cyclobutyl-2-ethoxy-2-methylpropan-1-one (PubChem CID 116710085) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-cyclobutyl-2-ethoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-2-ethoxy-2-methylpropan-1-one
PubChem CID116710085
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-cyclobutyl-2-ethoxy-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)C1CCC1
InChIInChI=1S/C10H18O2/c1-4-12-10(2,3)9(11)8-6-5-7-8/h8H,4-7H2,1-3H3
InChIKeyUEXIJGXQUJCQTK-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylcyclohexyl)-2-ethoxy-2-methylpropan-1-one
CID 116710149
1-cyclopentyl-2-methoxy-2-methylbutan-1-one
CID 116746785
1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one
CID 174402708
ethyl cyclobutanecarboxylate;formic acid
CID 158508137
2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one
CID 116603949
4-ethoxy-2,4-dimethylpent-1-en-3-one
CID 116710261
1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one
CID 153314263
2,2-dimethyl-1-(3-propanoylcyclohexyl)propan-1-one
CID 166711162
1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one
CID 79053327
2,2-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]propan-1-one
CID 139428026
2,2-bis(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 15607732
2-amino-1-cycloheptyl-2-ethylbutan-1-one
CID 116592825

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-ethoxy-2-methylpropan-1-one?
The IUPAC name of 1-cyclobutyl-2-ethoxy-2-methylpropan-1-one (CID 116710085) is 1-cyclobutyl-2-ethoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-cyclobutyl-2-ethoxy-2-methylpropan-1-one?
The canonical SMILES for 1-cyclobutyl-2-ethoxy-2-methylpropan-1-one is CCOC(C)(C)C(=O)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-ethoxy-2-methylpropan-1-one?
The InChIKey is UEXIJGXQUJCQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-12-10(2,3)9(11)8-6-5-7-8/h8H,4-7H2,1-3H3.
What are the key properties of 1-cyclobutyl-2-ethoxy-2-methylpropan-1-one?
1-cyclobutyl-2-ethoxy-2-methylpropan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-ethoxy-2-methylpropan-1-one is sourced from PubChem (CID 116710085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).