2-methyl-1,3-dioxolan-4-one

C4H6O3 — CID 10080341

IUPAC2-methyl-1,3-dioxolan-4-one
SMILESCC1OCC(=O)O1
InChIInChI=1S/C4H6O3/c1-3-6-2-4(5)7-3/h3H,2H2,1H3
InChIKeyWJPPHWUAGJOEFC-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.09
Rot. Bonds

About 2-methyl-1,3-dioxolan-4-one

2-methyl-1,3-dioxolan-4-one (PubChem CID 10080341) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is 2-methyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2-methyl-1,3-dioxolan-4-one
PubChem CID10080341
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name2-methyl-1,3-dioxolan-4-one
SMILESCC1OCC(=O)O1
InChIInChI=1S/C4H6O3/c1-3-6-2-4(5)7-3/h3H,2H2,1H3
InChIKeyWJPPHWUAGJOEFC-UHFFFAOYSA-N
XLogP-0.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxolan-4-one?
The IUPAC name of 2-methyl-1,3-dioxolan-4-one (CID 10080341) is 2-methyl-1,3-dioxolan-4-one.
What is the SMILES notation for 2-methyl-1,3-dioxolan-4-one?
The canonical SMILES for 2-methyl-1,3-dioxolan-4-one is CC1OCC(=O)O1.
What is the InChIKey of 2-methyl-1,3-dioxolan-4-one?
The InChIKey is WJPPHWUAGJOEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c1-3-6-2-4(5)7-3/h3H,2H2,1H3.
What are the key properties of 2-methyl-1,3-dioxolan-4-one?
2-methyl-1,3-dioxolan-4-one has a molecular weight of 102.09 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxolan-4-one is sourced from PubChem (CID 10080341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).