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

C5H8O4 — CID 14039899

IUPAC4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1CO
InChIInChI=1S/C5H8O4/c1-3-4(2-6)9-5(7)8-3/h3-4,6H,2H2,1H3
InChIKeyVMRMQBYDHZCMJS-UHFFFAOYSA-N
MW132.11 g/mol
LogP-0.10
Rot. Bonds1

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

4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one (PubChem CID 14039899) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one
PubChem CID14039899
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1CO
InChIInChI=1S/C5H8O4/c1-3-4(2-6)9-5(7)8-3/h3-4,6H,2H2,1H3
InChIKeyVMRMQBYDHZCMJS-UHFFFAOYSA-N
XLogP-0.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-0.10
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-dioxolan-2-one?
The IUPAC name of 4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one (CID 14039899) is 4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one is CC1OC(=O)OC1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one?
The InChIKey is VMRMQBYDHZCMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-3-4(2-6)9-5(7)8-3/h3-4,6H,2H2,1H3.
What are the key properties of 4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one?
4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one has a molecular weight of 132.11 g/mol, XLogP of -0.10, 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-dioxolan-2-one is sourced from PubChem (CID 14039899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).