1,3-dioxol-2-one;ethane

C5H8O3 — CID 91021486

IUPAC1,3-dioxol-2-one;ethane
SMILESCC.O=c1occo1
InChIInChI=1S/C3H2O3.C2H6/c4-3-5-1-2-6-3;1-2/h1-2H;1-2H3
InChIKeyWJQDFNORYNGCHG-UHFFFAOYSA-N
MW116.12 g/mol
LogP1.26
Rot. Bonds

About 1,3-dioxol-2-one;ethane

1,3-dioxol-2-one;ethane (PubChem CID 91021486) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 1,3-dioxol-2-one;ethane.

Molecular Properties

Compound Name1,3-dioxol-2-one;ethane
PubChem CID91021486
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name1,3-dioxol-2-one;ethane
SMILESCC.O=c1occo1
InChIInChI=1S/C3H2O3.C2H6/c4-3-5-1-2-6-3;1-2/h1-2H;1-2H3
InChIKeyWJQDFNORYNGCHG-UHFFFAOYSA-N
XLogP1.26
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-2-one;ethane?
The IUPAC name of 1,3-dioxol-2-one;ethane (CID 91021486) is 1,3-dioxol-2-one;ethane.
What is the SMILES notation for 1,3-dioxol-2-one;ethane?
The canonical SMILES for 1,3-dioxol-2-one;ethane is CC.O=c1occo1.
What is the InChIKey of 1,3-dioxol-2-one;ethane?
The InChIKey is WJQDFNORYNGCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O3.C2H6/c4-3-5-1-2-6-3;1-2/h1-2H;1-2H3.
What are the key properties of 1,3-dioxol-2-one;ethane?
1,3-dioxol-2-one;ethane has a molecular weight of 116.12 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-2-one;ethane is sourced from PubChem (CID 91021486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).