4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol

C6H10O5 — CID 145406018

IUPAC4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol
SMILESCO.Cc1oc(=O)oc1CO
InChIInChI=1S/C5H6O4.CH4O/c1-3-4(2-6)9-5(7)8-3;1-2/h6H,2H2,1H3;2H,1H3
InChIKeyAZHYBCICUWNUQV-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.36
Rot. Bonds1

About 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol

4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol (PubChem CID 145406018) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol
PubChem CID145406018
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol
SMILESCO.Cc1oc(=O)oc1CO
InChIInChI=1S/C5H6O4.CH4O/c1-3-4(2-6)9-5(7)8-3;1-2/h6H,2H2,1H3;2H,1H3
InChIKeyAZHYBCICUWNUQV-UHFFFAOYSA-N
XLogP-0.36
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol?
The IUPAC name of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol (CID 145406018) is 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol.
What is the SMILES notation for 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol?
The canonical SMILES for 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol is CO.Cc1oc(=O)oc1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol?
The InChIKey is AZHYBCICUWNUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.CH4O/c1-3-4(2-6)9-5(7)8-3;1-2/h6H,2H2,1H3;2H,1H3.
What are the key properties of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol?
4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol has a molecular weight of 162.14 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methanol is sourced from PubChem (CID 145406018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).