2H-oxet-3-ylmethanol

C4H6O2 — CID 23181607

IUPAC2H-oxet-3-ylmethanol
SMILESOCC1=COC1
InChIInChI=1S/C4H6O2/c5-1-4-2-6-3-4/h2,5H,1,3H2
InChIKeyYBUALMVACGHCDS-UHFFFAOYSA-N
MW86.09 g/mol
LogP-0.11
Rot. Bonds1

About 2H-oxet-3-ylmethanol

2H-oxet-3-ylmethanol (PubChem CID 23181607) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is 2H-oxet-3-ylmethanol.

Molecular Properties

Compound Name2H-oxet-3-ylmethanol
PubChem CID23181607
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name2H-oxet-3-ylmethanol
SMILESOCC1=COC1
InChIInChI=1S/C4H6O2/c5-1-4-2-6-3-4/h2,5H,1,3H2
InChIKeyYBUALMVACGHCDS-UHFFFAOYSA-N
XLogP-0.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-oxet-3-ylmethanol?
The IUPAC name of 2H-oxet-3-ylmethanol (CID 23181607) is 2H-oxet-3-ylmethanol.
What is the SMILES notation for 2H-oxet-3-ylmethanol?
The canonical SMILES for 2H-oxet-3-ylmethanol is OCC1=COC1.
What is the InChIKey of 2H-oxet-3-ylmethanol?
The InChIKey is YBUALMVACGHCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h2,5H,1,3H2.
What are the key properties of 2H-oxet-3-ylmethanol?
2H-oxet-3-ylmethanol has a molecular weight of 86.09 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-oxet-3-ylmethanol is sourced from PubChem (CID 23181607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).