1,3-dioxolane

C3H6O2 — CID 12586

IUPAC1,3-dioxolane
SMILESC1COCO1
InChIInChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
InChIKeyWNXJIVFYUVYPPR-UHFFFAOYSA-N
MW74.08 g/mol
LogP-0.01
Rot. Bonds

About 1,3-dioxolane

1,3-dioxolane (PubChem CID 12586) has the molecular formula C3H6O2 and a molecular weight of 74.08 g/mol. Its IUPAC name is 1,3-dioxolane.

Molecular Properties

Compound Name1,3-dioxolane
PubChem CID12586
Molecular FormulaC3H6O2
Molecular Weight74.08 g/mol
Exact Mass74.04
IUPAC Name1,3-dioxolane
SMILESC1COCO1
InChIInChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
InChIKeyWNXJIVFYUVYPPR-UHFFFAOYSA-N
XLogP-0.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.08
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane?
The IUPAC name of 1,3-dioxolane (CID 12586) is 1,3-dioxolane.
What is the SMILES notation for 1,3-dioxolane?
The canonical SMILES for 1,3-dioxolane is C1COCO1.
What is the InChIKey of 1,3-dioxolane?
The InChIKey is WNXJIVFYUVYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2.
What are the key properties of 1,3-dioxolane?
1,3-dioxolane has a molecular weight of 74.08 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane is sourced from PubChem (CID 12586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).