2-methylbicyclo[1.1.0]butan-2-ol

C5H8O — CID 123776938

IUPAC2-methylbicyclo[1.1.0]butan-2-ol
SMILESCC1(O)C2CC21
InChIInChI=1S/C5H8O/c1-5(6)3-2-4(3)5/h3-4,6H,2H2,1H3
InChIKeyMEDPQEKCCMALLK-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.39
Rot. Bonds

About 2-methylbicyclo[1.1.0]butan-2-ol

2-methylbicyclo[1.1.0]butan-2-ol (PubChem CID 123776938) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 2-methylbicyclo[1.1.0]butan-2-ol.

Molecular Properties

Compound Name2-methylbicyclo[1.1.0]butan-2-ol
PubChem CID123776938
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name2-methylbicyclo[1.1.0]butan-2-ol
SMILESCC1(O)C2CC21
InChIInChI=1S/C5H8O/c1-5(6)3-2-4(3)5/h3-4,6H,2H2,1H3
InChIKeyMEDPQEKCCMALLK-UHFFFAOYSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol
CID 10011966
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol
CID 57351268
7-methylbicyclo[2.2.1]heptane-2,7-diol
CID 130146915
(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol
CID 102586581
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
(1S,4R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 175710534
(1S,4R,5S)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 131134241
(1S,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 11875864
(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 102239210
(2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 2724867

Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[1.1.0]butan-2-ol?
The IUPAC name of 2-methylbicyclo[1.1.0]butan-2-ol (CID 123776938) is 2-methylbicyclo[1.1.0]butan-2-ol.
What is the SMILES notation for 2-methylbicyclo[1.1.0]butan-2-ol?
The canonical SMILES for 2-methylbicyclo[1.1.0]butan-2-ol is CC1(O)C2CC21.
What is the InChIKey of 2-methylbicyclo[1.1.0]butan-2-ol?
The InChIKey is MEDPQEKCCMALLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-5(6)3-2-4(3)5/h3-4,6H,2H2,1H3.
What are the key properties of 2-methylbicyclo[1.1.0]butan-2-ol?
2-methylbicyclo[1.1.0]butan-2-ol has a molecular weight of 84.12 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[1.1.0]butan-2-ol is sourced from PubChem (CID 123776938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).