4,5-dimethyl-1,3-dioxole

C5H8O2 — CID 13058524

IUPAC4,5-dimethyl-1,3-dioxole
SMILESCC1=C(C)OCO1
InChIInChI=1S/C5H8O2/c1-4-5(2)7-3-6-4/h3H2,1-2H3
InChIKeyTVGGZQXYTIPHSN-UHFFFAOYSA-N
MW100.12 g/mol
LogP1.24
Rot. Bonds

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

4,5-dimethyl-1,3-dioxole (PubChem CID 13058524) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-dioxole.

Molecular Properties

Compound Name4,5-dimethyl-1,3-dioxole
PubChem CID13058524
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name4,5-dimethyl-1,3-dioxole
SMILESCC1=C(C)OCO1
InChIInChI=1S/C5H8O2/c1-4-5(2)7-3-6-4/h3H2,1-2H3
InChIKeyTVGGZQXYTIPHSN-UHFFFAOYSA-N
XLogP1.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-dioxole?
The IUPAC name of 4,5-dimethyl-1,3-dioxole (CID 13058524) is 4,5-dimethyl-1,3-dioxole.
What is the SMILES notation for 4,5-dimethyl-1,3-dioxole?
The canonical SMILES for 4,5-dimethyl-1,3-dioxole is CC1=C(C)OCO1.
What is the InChIKey of 4,5-dimethyl-1,3-dioxole?
The InChIKey is TVGGZQXYTIPHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-4-5(2)7-3-6-4/h3H2,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-dioxole?
4,5-dimethyl-1,3-dioxole has a molecular weight of 100.12 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-dioxole is sourced from PubChem (CID 13058524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).