1-(2,3-dimethylcyclobutyl)butan-1-one

C10H18O — CID 131107277

IUPAC1-(2,3-dimethylcyclobutyl)butan-1-one
SMILESCCCC(=O)C1CC(C)C1C
InChIInChI=1S/C10H18O/c1-4-5-10(11)9-6-7(2)8(9)3/h7-9H,4-6H2,1-3H3
InChIKeySPHLJKMFXFNVEN-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds3

About 1-(2,3-dimethylcyclobutyl)butan-1-one

1-(2,3-dimethylcyclobutyl)butan-1-one (PubChem CID 131107277) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclobutyl)butan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylcyclobutyl)butan-1-one
PubChem CID131107277
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(2,3-dimethylcyclobutyl)butan-1-one
SMILESCCCC(=O)C1CC(C)C1C
InChIInChI=1S/C10H18O/c1-4-5-10(11)9-6-7(2)8(9)3/h7-9H,4-6H2,1-3H3
InChIKeySPHLJKMFXFNVEN-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclopropyl)hexan-1-one
CID 65420379
1-[(1R,2R)-2-methylcyclopropyl]dodecan-1-one
CID 134964567
1-(2,5-dimethyloxolan-3-yl)butan-1-one
CID 130785463
4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one
CID 65420809
1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
CID 124509499
[(1R,2R)-2-butanoylcyclopropyl]-trifluoroboranuide
CID 176722661
trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
CID 122666743
1-[(1S,2R)-2-aminocyclopentyl]butan-1-one
CID 178190862
1-[(1S,2S)-2-(2-hydroxypropan-2-yl)cyclopropyl]butan-1-one
CID 53388736
ethyl 4-(2-methylcyclopropyl)-4-oxobutanoate
CID 66322746
4-methyl-1-(2-methylcyclopropyl)pentan-1-one
CID 65421248
2-chloro-1-[(1S,2S)-2-methylcyclopropyl]ethanone
CID 93494094

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclobutyl)butan-1-one?
The IUPAC name of 1-(2,3-dimethylcyclobutyl)butan-1-one (CID 131107277) is 1-(2,3-dimethylcyclobutyl)butan-1-one.
What is the SMILES notation for 1-(2,3-dimethylcyclobutyl)butan-1-one?
The canonical SMILES for 1-(2,3-dimethylcyclobutyl)butan-1-one is CCCC(=O)C1CC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclobutyl)butan-1-one?
The InChIKey is SPHLJKMFXFNVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-10(11)9-6-7(2)8(9)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(2,3-dimethylcyclobutyl)butan-1-one?
1-(2,3-dimethylcyclobutyl)butan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclobutyl)butan-1-one is sourced from PubChem (CID 131107277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).