2-butyl-2-(hydroxymethyl)cyclobutan-1-one

C9H16O2 — CID 15156310

IUPAC2-butyl-2-(hydroxymethyl)cyclobutan-1-one
SMILESCCCCC1(CO)CCC1=O
InChIInChI=1S/C9H16O2/c1-2-3-5-9(7-10)6-4-8(9)11/h10H,2-7H2,1H3
InChIKeyGKMASAJQTJHHKW-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds4

About 2-butyl-2-(hydroxymethyl)cyclobutan-1-one

2-butyl-2-(hydroxymethyl)cyclobutan-1-one (PubChem CID 15156310) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-butyl-2-(hydroxymethyl)cyclobutan-1-one.

Molecular Properties

Compound Name2-butyl-2-(hydroxymethyl)cyclobutan-1-one
PubChem CID15156310
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-butyl-2-(hydroxymethyl)cyclobutan-1-one
SMILESCCCCC1(CO)CCC1=O
InChIInChI=1S/C9H16O2/c1-2-3-5-9(7-10)6-4-8(9)11/h10H,2-7H2,1H3
InChIKeyGKMASAJQTJHHKW-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(hydroxymethyl)cyclobutan-1-one?
The IUPAC name of 2-butyl-2-(hydroxymethyl)cyclobutan-1-one (CID 15156310) is 2-butyl-2-(hydroxymethyl)cyclobutan-1-one.
What is the SMILES notation for 2-butyl-2-(hydroxymethyl)cyclobutan-1-one?
The canonical SMILES for 2-butyl-2-(hydroxymethyl)cyclobutan-1-one is CCCCC1(CO)CCC1=O.
What is the InChIKey of 2-butyl-2-(hydroxymethyl)cyclobutan-1-one?
The InChIKey is GKMASAJQTJHHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-5-9(7-10)6-4-8(9)11/h10H,2-7H2,1H3.
What are the key properties of 2-butyl-2-(hydroxymethyl)cyclobutan-1-one?
2-butyl-2-(hydroxymethyl)cyclobutan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(hydroxymethyl)cyclobutan-1-one is sourced from PubChem (CID 15156310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).