4,5-dimethyl-1,3-dioxolane

C5H10O2 — CID 524829

IUPAC4,5-dimethyl-1,3-dioxolane
SMILESCC1OCOC1C
InChIInChI=1S/C5H10O2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3
InChIKeyGGQOXKOHMFKMLR-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.77
Rot. Bonds

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

4,5-dimethyl-1,3-dioxolane (PubChem CID 524829) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dimethyl-1,3-dioxolane
PubChem CID524829
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name4,5-dimethyl-1,3-dioxolane
SMILESCC1OCOC1C
InChIInChI=1S/C5H10O2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3
InChIKeyGGQOXKOHMFKMLR-UHFFFAOYSA-N
XLogP0.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.77
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-dioxolane?
The IUPAC name of 4,5-dimethyl-1,3-dioxolane (CID 524829) is 4,5-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4,5-dimethyl-1,3-dioxolane?
The canonical SMILES for 4,5-dimethyl-1,3-dioxolane is CC1OCOC1C.
What is the InChIKey of 4,5-dimethyl-1,3-dioxolane?
The InChIKey is GGQOXKOHMFKMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-dioxolane?
4,5-dimethyl-1,3-dioxolane has a molecular weight of 102.13 g/mol, XLogP of 0.77, 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-dioxolane is sourced from PubChem (CID 524829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).