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

C5H6O4 — CID 10510878

IUPAC4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1CO
InChIInChI=1S/C5H6O4/c1-3-4(2-6)9-5(7)8-3/h6H,2H2,1H3
InChIKeyJEQSUJXHFAXJOW-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.03
Rot. Bonds1

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

4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one (PubChem CID 10510878) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
PubChem CID10510878
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1CO
InChIInChI=1S/C5H6O4/c1-3-4(2-6)9-5(7)8-3/h6H,2H2,1H3
InChIKeyJEQSUJXHFAXJOW-UHFFFAOYSA-N
XLogP0.03
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one?
The IUPAC name of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one (CID 10510878) is 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one is Cc1oc(=O)oc1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one?
The InChIKey is JEQSUJXHFAXJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-3-4(2-6)9-5(7)8-3/h6H,2H2,1H3.
What are the key properties of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one?
4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one has a molecular weight of 130.10 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 10510878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).