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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Related Compounds

(1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol
CID 124526848
sodium;boric acid;cyclopropane-1,1,2-triol;hydride
CID 175177943
(1S,3S,5S,6R,9R)-6,9-dimethyl-7-oxatricyclo[4.3.0.03,9]nonane-1,5-diol
CID 139124142
(1S,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 11875864
(2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 2724867
(1S,2S,4R,6S)-1,3,3-trimethylbicyclo[2.2.1]heptane-2,6-diol
CID 102249612
methyl (1R,1'R,2R,3S,5R)-3-hydroxy-1',6,6-trimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-carboxylate
CID 101057759
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium
CID 149178506
2-amino-6,6-dimethylbicyclo[3.1.1]heptane-2,3-diol
CID 102113359
1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol
CID 163889963
1-bromobicyclo[3.1.0]hexan-2-ol
CID 24978264

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).