[5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol

C5H8O4 — CID 140981335

IUPAC[5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol
SMILESOCC1=C(CO)OCO1
InChIInChI=1S/C5H8O4/c6-1-4-5(2-7)9-3-8-4/h6-7H,1-3H2
InChIKeyUUKCOEQPYUOBSZ-UHFFFAOYSA-N
MW132.11 g/mol
LogP-0.81
Rot. Bonds2

About [5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol

[5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol (PubChem CID 140981335) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol
PubChem CID140981335
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name[5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol
SMILESOCC1=C(CO)OCO1
InChIInChI=1S/C5H8O4/c6-1-4-5(2-7)9-3-8-4/h6-7H,1-3H2
InChIKeyUUKCOEQPYUOBSZ-UHFFFAOYSA-N
XLogP-0.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol (CID 140981335) is [5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol is OCC1=C(CO)OCO1.
What is the InChIKey of [5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol?
The InChIKey is UUKCOEQPYUOBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c6-1-4-5(2-7)9-3-8-4/h6-7H,1-3H2.
What are the key properties of [5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol?
[5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol has a molecular weight of 132.11 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1,3-dioxol-4-yl]methanol is sourced from PubChem (CID 140981335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).