1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one

C9H16O2 — CID 153429546

IUPAC1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC(O)C1
InChIInChI=1S/C9H16O2/c1-9(2,3)8(11)6-4-7(10)5-6/h6-7,10H,4-5H2,1-3H3
InChIKeyLBJBQIVWDUBRDY-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds1

About 1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one

1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one (PubChem CID 153429546) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
PubChem CID153429546
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC(O)C1
InChIInChI=1S/C9H16O2/c1-9(2,3)8(11)6-4-7(10)5-6/h6-7,10H,4-5H2,1-3H3
InChIKeyLBJBQIVWDUBRDY-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116917647
1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
CID 161235938
2,2-dimethyl-1-(oxetan-3-yl)propan-1-one
CID 58961075
1-[(1S,3aS,5R,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2,2-dimethylpropan-1-one
CID 10727185
1-(3-acetylcyclohexyl)-2,2-dimethylpropan-1-one
CID 138498595
1-[4-(3,3-dimethylbut-1-en-2-yl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 160987153
2,2-dimethyl-1-(3-propanoylcyclohexyl)propan-1-one
CID 166711162
2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one
CID 163399683
6-(2,2-dimethylpropanoyl)spiro[3.3]heptane-2-carboxylic acid
CID 118217461
1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one
CID 146364197
1-[3-(difluoromethyl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 176833501
3,5-dihydroxycyclohexane-1-carboxamide
CID 117046519

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one (CID 153429546) is 1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CC(O)C1.
What is the InChIKey of 1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one?
The InChIKey is LBJBQIVWDUBRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(2,3)8(11)6-4-7(10)5-6/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one?
1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 153429546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).