1-cyclopropyl-3,3-dimethylbutan-1-one

C9H16O — CID 11263536

IUPAC1-cyclopropyl-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)C1CC1
InChIInChI=1S/C9H16O/c1-9(2,3)6-8(10)7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyGWKJLMYWFKWKSR-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds2

About 1-cyclopropyl-3,3-dimethylbutan-1-one

1-cyclopropyl-3,3-dimethylbutan-1-one (PubChem CID 11263536) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethylbutan-1-one
PubChem CID11263536
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-cyclopropyl-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)C1CC1
InChIInChI=1S/C9H16O/c1-9(2,3)6-8(10)7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyGWKJLMYWFKWKSR-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethylbutan-1-one?
The IUPAC name of 1-cyclopropyl-3,3-dimethylbutan-1-one (CID 11263536) is 1-cyclopropyl-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-cyclopropyl-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-3,3-dimethylbutan-1-one?
The InChIKey is GWKJLMYWFKWKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2,3)6-8(10)7-4-5-7/h7H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-3,3-dimethylbutan-1-one?
1-cyclopropyl-3,3-dimethylbutan-1-one has a molecular weight of 140.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethylbutan-1-one is sourced from PubChem (CID 11263536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).