oxetan-3-ylmethanol

C4H8O2 — CID 11521066

IUPACoxetan-3-ylmethanol
SMILESOCC1COC1
InChIInChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2
InChIKeySWYHWLFHDVMLHO-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.37
Rot. Bonds1

About oxetan-3-ylmethanol

oxetan-3-ylmethanol (PubChem CID 11521066) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is oxetan-3-ylmethanol.

Molecular Properties

Compound Nameoxetan-3-ylmethanol
PubChem CID11521066
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Nameoxetan-3-ylmethanol
SMILESOCC1COC1
InChIInChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2
InChIKeySWYHWLFHDVMLHO-UHFFFAOYSA-N
XLogP-0.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-ylmethanol?
The IUPAC name of oxetan-3-ylmethanol (CID 11521066) is oxetan-3-ylmethanol.
What is the SMILES notation for oxetan-3-ylmethanol?
The canonical SMILES for oxetan-3-ylmethanol is OCC1COC1.
What is the InChIKey of oxetan-3-ylmethanol?
The InChIKey is SWYHWLFHDVMLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2.
What are the key properties of oxetan-3-ylmethanol?
oxetan-3-ylmethanol has a molecular weight of 88.11 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-ylmethanol is sourced from PubChem (CID 11521066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).