[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol

C5H8O2 — CID 88623033

IUPAC[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
SMILESOC[C@H]1C[C@@H]2O[C@H]12
InChIInChI=1S/C5H8O2/c6-2-3-1-4-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-/m1/s1
InChIKeyYNWKMBDDZMTYAC-MROZADKFSA-N
MW100.12 g/mol
LogP-0.23
Rot. Bonds1

About [(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol

[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol (PubChem CID 88623033) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is [(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
PubChem CID88623033
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
SMILESOC[C@H]1C[C@@H]2O[C@H]12
InChIInChI=1S/C5H8O2/c6-2-3-1-4-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-/m1/s1
InChIKeyYNWKMBDDZMTYAC-MROZADKFSA-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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Related Compounds

5-Oxabicyclo[2.1.0]pentan-2-ylmethanol
CID 14796866
[(1S,2R,4R)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 88623116
[(2R,3S)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 15863648
[(1R,2R,3S,4S)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 100937517
[(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 100937518
[3-(Hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 133680638

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol?
The IUPAC name of [(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol (CID 88623033) is [(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol.
What is the SMILES notation for [(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol?
The canonical SMILES for [(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol is OC[C@H]1C[C@@H]2O[C@H]12.
What is the InChIKey of [(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol?
The InChIKey is YNWKMBDDZMTYAC-MROZADKFSA-N. The full InChI is InChI=1S/C5H8O2/c6-2-3-1-4-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-/m1/s1.
What are the key properties of [(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol?
[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol 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 [(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol is sourced from PubChem (CID 88623033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).