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

C4H6O3 — CID 7924

IUPAC4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1
InChIInChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
InChIKeyRUOJZAUFBMNUDX-UHFFFAOYSA-N
MW102.09 g/mol
LogP0.54
Rot. Bonds

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

4-methyl-1,3-dioxolan-2-one (PubChem CID 7924) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is 4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-methyl-1,3-dioxolan-2-one
PubChem CID7924
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1
InChIInChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
InChIKeyRUOJZAUFBMNUDX-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,4-Trimethyl-1,3-dioxolane
CID 62384
Butylene carbonate
CID 107282
4-Methyl-1,3-dioxolane
CID 66119
4,5-Dimethyl-1,3-dioxolane
CID 524829
(4S)-4-methyl-1,3-dioxolan-2-one
CID 2734444
(4R)-4-methyl-1,3-dioxolan-2-one
CID 641813
1,3-Dioxolan-2-one, 4,4-dimethyl-
CID 78174
(4R,5R)-4,5-Dimethyl-1,3-dioxolan-2-one
CID 10654203
rel-(4R,5S)-4,5-Dimethyl-1,3-dioxolan-2-one
CID 11434932
Avidin
CID 641528
Trans-2,3-Butylene carbonate
CID 10080377
(4S)-4-ethyl-1,3-dioxolan-2-one
CID 7015599

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxolan-2-one?
The IUPAC name of 4-methyl-1,3-dioxolan-2-one (CID 7924) is 4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-methyl-1,3-dioxolan-2-one is CC1COC(=O)O1.
What is the InChIKey of 4-methyl-1,3-dioxolan-2-one?
The InChIKey is RUOJZAUFBMNUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3.
What are the key properties of 4-methyl-1,3-dioxolan-2-one?
4-methyl-1,3-dioxolan-2-one has a molecular weight of 102.09 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 7924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).