3-cyclobutylbutan-2-ol

C8H16O — CID 54399039

IUPAC3-cyclobutylbutan-2-ol
SMILESCC(O)C(C)C1CCC1
InChIInChI=1S/C8H16O/c1-6(7(2)9)8-4-3-5-8/h6-9H,3-5H2,1-2H3
InChIKeyQSXWYNOBQXKWPF-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.80
Rot. Bonds2

About 3-cyclobutylbutan-2-ol

3-cyclobutylbutan-2-ol (PubChem CID 54399039) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-cyclobutylbutan-2-ol.

Molecular Properties

Compound Name3-cyclobutylbutan-2-ol
PubChem CID54399039
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-cyclobutylbutan-2-ol
SMILESCC(O)C(C)C1CCC1
InChIInChI=1S/C8H16O/c1-6(7(2)9)8-4-3-5-8/h6-9H,3-5H2,1-2H3
InChIKeyQSXWYNOBQXKWPF-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclododecylbutan-2-ol
CID 10444334
(3S)-3-cyclopropylbutan-2-ol
CID 175219475
[(3R)-3-cyclobutylbutan-2-yl]phosphane
CID 70667420
1-cycloheptylpropane-1,2-diol
CID 103452573
3-piperidin-4-ylbutan-2-ol
CID 154192279
1-amino-1-cyclobutylpropan-2-ol
CID 55295141
(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
CID 55295105
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
(1R)-1-cyclopentyl-1-deuterioethanol
CID 157323248
2-(3-hydroxybutan-2-yl)cyclopentan-1-ol
CID 79424723
(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
CID 123949424
2-chloro-1-cyclopentylpropan-1-ol
CID 116863753

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylbutan-2-ol?
The IUPAC name of 3-cyclobutylbutan-2-ol (CID 54399039) is 3-cyclobutylbutan-2-ol.
What is the SMILES notation for 3-cyclobutylbutan-2-ol?
The canonical SMILES for 3-cyclobutylbutan-2-ol is CC(O)C(C)C1CCC1.
What is the InChIKey of 3-cyclobutylbutan-2-ol?
The InChIKey is QSXWYNOBQXKWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6(7(2)9)8-4-3-5-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-cyclobutylbutan-2-ol?
3-cyclobutylbutan-2-ol has a molecular weight of 128.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylbutan-2-ol is sourced from PubChem (CID 54399039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).