2-bicyclo[1.1.0]butanylmethanol

C5H8O — CID 73001174

IUPAC2-bicyclo[1.1.0]butanylmethanol
SMILESOCC1C2CC12
InChIInChI=1S/C5H8O/c6-2-5-3-1-4(3)5/h3-6H,1-2H2
InChIKeyBBHBUBXHUCRWKD-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.24
Rot. Bonds1

About 2-bicyclo[1.1.0]butanylmethanol

2-bicyclo[1.1.0]butanylmethanol (PubChem CID 73001174) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 2-bicyclo[1.1.0]butanylmethanol.

Molecular Properties

Compound Name2-bicyclo[1.1.0]butanylmethanol
PubChem CID73001174
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name2-bicyclo[1.1.0]butanylmethanol
SMILESOCC1C2CC12
InChIInChI=1S/C5H8O/c6-2-5-3-1-4(3)5/h3-6H,1-2H2
InChIKeyBBHBUBXHUCRWKD-UHFFFAOYSA-N
XLogP0.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[1.1.0]butanylmethanol?
The IUPAC name of 2-bicyclo[1.1.0]butanylmethanol (CID 73001174) is 2-bicyclo[1.1.0]butanylmethanol.
What is the SMILES notation for 2-bicyclo[1.1.0]butanylmethanol?
The canonical SMILES for 2-bicyclo[1.1.0]butanylmethanol is OCC1C2CC12.
What is the InChIKey of 2-bicyclo[1.1.0]butanylmethanol?
The InChIKey is BBHBUBXHUCRWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c6-2-5-3-1-4(3)5/h3-6H,1-2H2.
What are the key properties of 2-bicyclo[1.1.0]butanylmethanol?
2-bicyclo[1.1.0]butanylmethanol has a molecular weight of 84.12 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[1.1.0]butanylmethanol is sourced from PubChem (CID 73001174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).