4,5-dimethoxy-1,3-dioxole

C5H8O4 — CID 141112983

IUPAC4,5-dimethoxy-1,3-dioxole
SMILESCOC1=C(OC)OCO1
InChIInChI=1S/C5H8O4/c1-6-4-5(7-2)9-3-8-4/h3H2,1-2H3
InChIKeyYTPAMVJBEOWLRK-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.41
Rot. Bonds2

About 4,5-dimethoxy-1,3-dioxole

4,5-dimethoxy-1,3-dioxole (PubChem CID 141112983) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is 4,5-dimethoxy-1,3-dioxole.

Molecular Properties

Compound Name4,5-dimethoxy-1,3-dioxole
PubChem CID141112983
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name4,5-dimethoxy-1,3-dioxole
SMILESCOC1=C(OC)OCO1
InChIInChI=1S/C5H8O4/c1-6-4-5(7-2)9-3-8-4/h3H2,1-2H3
InChIKeyYTPAMVJBEOWLRK-UHFFFAOYSA-N
XLogP0.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-1,3-dioxole?
The IUPAC name of 4,5-dimethoxy-1,3-dioxole (CID 141112983) is 4,5-dimethoxy-1,3-dioxole.
What is the SMILES notation for 4,5-dimethoxy-1,3-dioxole?
The canonical SMILES for 4,5-dimethoxy-1,3-dioxole is COC1=C(OC)OCO1.
What is the InChIKey of 4,5-dimethoxy-1,3-dioxole?
The InChIKey is YTPAMVJBEOWLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-6-4-5(7-2)9-3-8-4/h3H2,1-2H3.
What are the key properties of 4,5-dimethoxy-1,3-dioxole?
4,5-dimethoxy-1,3-dioxole has a molecular weight of 132.12 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-1,3-dioxole is sourced from PubChem (CID 141112983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).