5-oxabicyclo[2.1.0]pentan-2-ylmethanol

C5H8O2 — CID 14796866

IUPAC5-oxabicyclo[2.1.0]pentan-2-ylmethanol
SMILESOCC1CC2OC12
InChIInChI=1S/C5H8O2/c6-2-3-1-4-5(3)7-4/h3-6H,1-2H2
InChIKeyYNWKMBDDZMTYAC-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.23
Rot. Bonds1

About 5-oxabicyclo[2.1.0]pentan-2-ylmethanol

5-oxabicyclo[2.1.0]pentan-2-ylmethanol (PubChem CID 14796866) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 5-oxabicyclo[2.1.0]pentan-2-ylmethanol.

Molecular Properties

Compound Name5-oxabicyclo[2.1.0]pentan-2-ylmethanol
PubChem CID14796866
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name5-oxabicyclo[2.1.0]pentan-2-ylmethanol
SMILESOCC1CC2OC12
InChIInChI=1S/C5H8O2/c6-2-3-1-4-5(3)7-4/h3-6H,1-2H2
InChIKeyYNWKMBDDZMTYAC-UHFFFAOYSA-N
XLogP-0.23
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxabicyclo[2.1.0]pentan-2-ylmethanol?
The IUPAC name of 5-oxabicyclo[2.1.0]pentan-2-ylmethanol (CID 14796866) is 5-oxabicyclo[2.1.0]pentan-2-ylmethanol.
What is the SMILES notation for 5-oxabicyclo[2.1.0]pentan-2-ylmethanol?
The canonical SMILES for 5-oxabicyclo[2.1.0]pentan-2-ylmethanol is OCC1CC2OC12.
What is the InChIKey of 5-oxabicyclo[2.1.0]pentan-2-ylmethanol?
The InChIKey is YNWKMBDDZMTYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-2-3-1-4-5(3)7-4/h3-6H,1-2H2.
What are the key properties of 5-oxabicyclo[2.1.0]pentan-2-ylmethanol?
5-oxabicyclo[2.1.0]pentan-2-ylmethanol has a molecular weight of 100.12 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxabicyclo[2.1.0]pentan-2-ylmethanol is sourced from PubChem (CID 14796866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).