1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one

C11H20O2 — CID 116709506

IUPAC1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one
SMILESCOC(C(=O)C1CCC1)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-11(2,3)10(13-4)9(12)8-6-5-7-8/h8,10H,5-7H2,1-4H3
InChIKeyQQLFXVVIUSKAGZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds3

About 1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one

1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one (PubChem CID 116709506) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one
PubChem CID116709506
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one
SMILESCOC(C(=O)C1CCC1)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-11(2,3)10(13-4)9(12)8-6-5-7-8/h8,10H,5-7H2,1-4H3
InChIKeyQQLFXVVIUSKAGZ-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one?
The IUPAC name of 1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one (CID 116709506) is 1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one is COC(C(=O)C1CCC1)C(C)(C)C.
What is the InChIKey of 1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one?
The InChIKey is QQLFXVVIUSKAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)10(13-4)9(12)8-6-5-7-8/h8,10H,5-7H2,1-4H3.
What are the key properties of 1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one?
1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one is sourced from PubChem (CID 116709506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).