[5-(hydroxymethyl)oxolan-3-yl]methanol

C6H12O3 — CID 70581939

IUPAC[5-(hydroxymethyl)oxolan-3-yl]methanol
SMILESOCC1COC(CO)C1
InChIInChI=1S/C6H12O3/c7-2-5-1-6(3-8)9-4-5/h5-8H,1-4H2
InChIKeyJWEJETGUUHYDTA-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.62
Rot. Bonds2

About [5-(hydroxymethyl)oxolan-3-yl]methanol

[5-(hydroxymethyl)oxolan-3-yl]methanol (PubChem CID 70581939) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is [5-(hydroxymethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)oxolan-3-yl]methanol
PubChem CID70581939
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name[5-(hydroxymethyl)oxolan-3-yl]methanol
SMILESOCC1COC(CO)C1
InChIInChI=1S/C6H12O3/c7-2-5-1-6(3-8)9-4-5/h5-8H,1-4H2
InChIKeyJWEJETGUUHYDTA-UHFFFAOYSA-N
XLogP-0.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)oxolan-3-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)oxolan-3-yl]methanol (CID 70581939) is [5-(hydroxymethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)oxolan-3-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)oxolan-3-yl]methanol is OCC1COC(CO)C1.
What is the InChIKey of [5-(hydroxymethyl)oxolan-3-yl]methanol?
The InChIKey is JWEJETGUUHYDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c7-2-5-1-6(3-8)9-4-5/h5-8H,1-4H2.
What are the key properties of [5-(hydroxymethyl)oxolan-3-yl]methanol?
[5-(hydroxymethyl)oxolan-3-yl]methanol has a molecular weight of 132.16 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 70581939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).