[(1S)-2,2-dimethylcyclobutyl]methanol

C7H14O — CID 129404662

IUPAC[(1S)-2,2-dimethylcyclobutyl]methanol
SMILESCC1(C)CC[C@@H]1CO
InChIInChI=1S/C7H14O/c1-7(2)4-3-6(7)5-8/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyKDDFEANSQQUNGO-ZCFIWIBFSA-N
MW114.19 g/mol
LogP1.41
Rot. Bonds1

About [(1S)-2,2-dimethylcyclobutyl]methanol

[(1S)-2,2-dimethylcyclobutyl]methanol (PubChem CID 129404662) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is [(1S)-2,2-dimethylcyclobutyl]methanol.

Molecular Properties

Compound Name[(1S)-2,2-dimethylcyclobutyl]methanol
PubChem CID129404662
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name[(1S)-2,2-dimethylcyclobutyl]methanol
SMILESCC1(C)CC[C@@H]1CO
InChIInChI=1S/C7H14O/c1-7(2)4-3-6(7)5-8/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyKDDFEANSQQUNGO-ZCFIWIBFSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
CID 55284494
azane;2-ethyl-1,1-dimethylcyclobutane
CID 174315226
trans-(1R,2S)-2-(hydroxymethyl)-1,5,5-trimethylcycloheptan-1-ol
CID 14359263
2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol
CID 130122085
1,1-dimethyl-2-(2-methylpropyl)cyclobutane
CID 123767451
(1,4,4-trimethylpiperidin-3-yl)methanol
CID 117025806
[2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 4633187
[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 7109758
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride
CID 17039395
1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopentane
CID 123815942
[2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride
CID 53396844

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dimethylcyclobutyl]methanol?
The IUPAC name of [(1S)-2,2-dimethylcyclobutyl]methanol (CID 129404662) is [(1S)-2,2-dimethylcyclobutyl]methanol.
What is the SMILES notation for [(1S)-2,2-dimethylcyclobutyl]methanol?
The canonical SMILES for [(1S)-2,2-dimethylcyclobutyl]methanol is CC1(C)CC[C@@H]1CO.
What is the InChIKey of [(1S)-2,2-dimethylcyclobutyl]methanol?
The InChIKey is KDDFEANSQQUNGO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2)4-3-6(7)5-8/h6,8H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of [(1S)-2,2-dimethylcyclobutyl]methanol?
[(1S)-2,2-dimethylcyclobutyl]methanol has a molecular weight of 114.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dimethylcyclobutyl]methanol is sourced from PubChem (CID 129404662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).