bicyclo[2.1.0]pentane-1,2-diol

C5H8O2 — CID 66908038

IUPACbicyclo[2.1.0]pentane-1,2-diol
SMILESOC1CC2CC12O
InChIInChI=1S/C5H8O2/c6-4-1-3-2-5(3,4)7/h3-4,6-7H,1-2H2
InChIKeyMUXILEFXDQVDRC-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.50
Rot. Bonds

About bicyclo[2.1.0]pentane-1,2-diol

bicyclo[2.1.0]pentane-1,2-diol (PubChem CID 66908038) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is bicyclo[2.1.0]pentane-1,2-diol.

Molecular Properties

Compound Namebicyclo[2.1.0]pentane-1,2-diol
PubChem CID66908038
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Namebicyclo[2.1.0]pentane-1,2-diol
SMILESOC1CC2CC12O
InChIInChI=1S/C5H8O2/c6-4-1-3-2-5(3,4)7/h3-4,6-7H,1-2H2
InChIKeyMUXILEFXDQVDRC-UHFFFAOYSA-N
XLogP-0.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.1.0]pentane-1,2-diol?
The IUPAC name of bicyclo[2.1.0]pentane-1,2-diol (CID 66908038) is bicyclo[2.1.0]pentane-1,2-diol.
What is the SMILES notation for bicyclo[2.1.0]pentane-1,2-diol?
The canonical SMILES for bicyclo[2.1.0]pentane-1,2-diol is OC1CC2CC12O.
What is the InChIKey of bicyclo[2.1.0]pentane-1,2-diol?
The InChIKey is MUXILEFXDQVDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-4-1-3-2-5(3,4)7/h3-4,6-7H,1-2H2.
What are the key properties of bicyclo[2.1.0]pentane-1,2-diol?
bicyclo[2.1.0]pentane-1,2-diol has a molecular weight of 100.12 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.1.0]pentane-1,2-diol is sourced from PubChem (CID 66908038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).