4-methyl-1,3-dioxole

C4H6O2 — CID 518996

IUPAC4-methyl-1,3-dioxole
SMILESCC1=COCO1
InChIInChI=1S/C4H6O2/c1-4-2-5-3-6-4/h2H,3H2,1H3
InChIKeyOHGDYNKEHUBFCC-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.85
Rot. Bonds

About 4-methyl-1,3-dioxole

4-methyl-1,3-dioxole (PubChem CID 518996) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is 4-methyl-1,3-dioxole.

Molecular Properties

Compound Name4-methyl-1,3-dioxole
PubChem CID518996
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name4-methyl-1,3-dioxole
SMILESCC1=COCO1
InChIInChI=1S/C4H6O2/c1-4-2-5-3-6-4/h2H,3H2,1H3
InChIKeyOHGDYNKEHUBFCC-UHFFFAOYSA-N
XLogP0.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxole?
The IUPAC name of 4-methyl-1,3-dioxole (CID 518996) is 4-methyl-1,3-dioxole.
What is the SMILES notation for 4-methyl-1,3-dioxole?
The canonical SMILES for 4-methyl-1,3-dioxole is CC1=COCO1.
What is the InChIKey of 4-methyl-1,3-dioxole?
The InChIKey is OHGDYNKEHUBFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h2H,3H2,1H3.
What are the key properties of 4-methyl-1,3-dioxole?
4-methyl-1,3-dioxole has a molecular weight of 86.09 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxole is sourced from PubChem (CID 518996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).