2-methyl-1-(3-methylcyclobutyl)propan-1-one

C9H16O — CID 70309375

IUPAC2-methyl-1-(3-methylcyclobutyl)propan-1-one
SMILESCC1CC(C(=O)C(C)C)C1
InChIInChI=1S/C9H16O/c1-6(2)9(10)8-4-7(3)5-8/h6-8H,4-5H2,1-3H3
InChIKeyBORYZIDSDVWONE-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds2

About 2-methyl-1-(3-methylcyclobutyl)propan-1-one

2-methyl-1-(3-methylcyclobutyl)propan-1-one (PubChem CID 70309375) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-1-(3-methylcyclobutyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methylcyclobutyl)propan-1-one
PubChem CID70309375
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-methyl-1-(3-methylcyclobutyl)propan-1-one
SMILESCC1CC(C(=O)C(C)C)C1
InChIInChI=1S/C9H16O/c1-6(2)9(10)8-4-7(3)5-8/h6-8H,4-5H2,1-3H3
InChIKeyBORYZIDSDVWONE-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylcyclobutyl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-methylcyclobutyl)propan-1-one (CID 70309375) is 2-methyl-1-(3-methylcyclobutyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methylcyclobutyl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-methylcyclobutyl)propan-1-one is CC1CC(C(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-1-(3-methylcyclobutyl)propan-1-one?
The InChIKey is BORYZIDSDVWONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-6(2)9(10)8-4-7(3)5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylcyclobutyl)propan-1-one?
2-methyl-1-(3-methylcyclobutyl)propan-1-one has a molecular weight of 140.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylcyclobutyl)propan-1-one is sourced from PubChem (CID 70309375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).