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

C9H16O2 — CID 15156308

IUPAC(2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one
SMILESCCCC[C@@]1(CO)CCC1=O
InChIInChI=1S/C9H16O2/c1-2-3-5-9(7-10)6-4-8(9)11/h10H,2-7H2,1H3/t9-/m0/s1
InChIKeyGKMASAJQTJHHKW-VIFPVBQESA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds4

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

(2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one (PubChem CID 15156308) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one.

Molecular Properties

Compound Name(2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one
PubChem CID15156308
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one
SMILESCCCC[C@@]1(CO)CCC1=O
InChIInChI=1S/C9H16O2/c1-2-3-5-9(7-10)6-4-8(9)11/h10H,2-7H2,1H3/t9-/m0/s1
InChIKeyGKMASAJQTJHHKW-VIFPVBQESA-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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Related Compounds

3,3-dibutylcyclohexene-1,2-dicarboxylic acid
CID 168756725
2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol
CID 90417728
(1R,5R)-1-butyl-5-methyl-6-oxabicyclo[3.2.0]heptane-2,7-dione
CID 101035014
(2S)-2-butyl-2-methylcyclohexan-1-one
CID 10080777
6,6-dibutyloxan-2-one
CID 10822452
(1-butylcyclobutyl)methanol
CID 12786214
2-butyl-2-hydroxy-1,3-dioxolane-4,5-dione
CID 139899991
2,4,4-tributyl-3-stannylcyclopent-2-en-1-one
CID 174445597
2-hydroxy-2-pentylcycloheptan-1-one
CID 12920406
2-(1-bromoethenyl)-2-butylcyclononan-1-one
CID 102390500
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
3-[(1S)-1-ethyl-2-oxocyclohexyl]propanoic acid
CID 54536642

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one?
The IUPAC name of (2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one (CID 15156308) is (2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one.
What is the SMILES notation for (2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one?
The canonical SMILES for (2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one is CCCC[C@@]1(CO)CCC1=O.
What is the InChIKey of (2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one?
The InChIKey is GKMASAJQTJHHKW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-5-9(7-10)6-4-8(9)11/h10H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one?
(2S)-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 (2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one is sourced from PubChem (CID 15156308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).