[2-(hydroxymethyl)oxetan-2-yl]methanol

C5H10O3 — CID 22160808

IUPAC[2-(hydroxymethyl)oxetan-2-yl]methanol
SMILESOCC1(CO)CCO1
InChIInChI=1S/C5H10O3/c6-3-5(4-7)1-2-8-5/h6-7H,1-4H2
InChIKeyPOXJOYYCYMCJGY-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.87
Rot. Bonds2

About [2-(hydroxymethyl)oxetan-2-yl]methanol

[2-(hydroxymethyl)oxetan-2-yl]methanol (PubChem CID 22160808) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is [2-(hydroxymethyl)oxetan-2-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)oxetan-2-yl]methanol
PubChem CID22160808
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name[2-(hydroxymethyl)oxetan-2-yl]methanol
SMILESOCC1(CO)CCO1
InChIInChI=1S/C5H10O3/c6-3-5(4-7)1-2-8-5/h6-7H,1-4H2
InChIKeyPOXJOYYCYMCJGY-UHFFFAOYSA-N
XLogP-0.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)oxetan-2-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)oxetan-2-yl]methanol (CID 22160808) is [2-(hydroxymethyl)oxetan-2-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)oxetan-2-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)oxetan-2-yl]methanol is OCC1(CO)CCO1.
What is the InChIKey of [2-(hydroxymethyl)oxetan-2-yl]methanol?
The InChIKey is POXJOYYCYMCJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c6-3-5(4-7)1-2-8-5/h6-7H,1-4H2.
What are the key properties of [2-(hydroxymethyl)oxetan-2-yl]methanol?
[2-(hydroxymethyl)oxetan-2-yl]methanol has a molecular weight of 118.13 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)oxetan-2-yl]methanol is sourced from PubChem (CID 22160808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).