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

C8H16O3 — CID 90922106

IUPAC1,3-dioxol-2-one;ethane;propane
SMILESCC.CCC.O=c1occo1
InChIInChI=1S/C3H2O3.C3H8.C2H6/c4-3-5-1-2-6-3;1-3-2;1-2/h1-2H;3H2,1-2H3;1-2H3
InChIKeyMICRYYOXZGIYFO-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.68
Rot. Bonds

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

1,3-dioxol-2-one;ethane;propane (PubChem CID 90922106) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1,3-dioxol-2-one;ethane;propane.

Molecular Properties

Compound Name1,3-dioxol-2-one;ethane;propane
PubChem CID90922106
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1,3-dioxol-2-one;ethane;propane
SMILESCC.CCC.O=c1occo1
InChIInChI=1S/C3H2O3.C3H8.C2H6/c4-3-5-1-2-6-3;1-3-2;1-2/h1-2H;3H2,1-2H3;1-2H3
InChIKeyMICRYYOXZGIYFO-UHFFFAOYSA-N
XLogP2.68
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 52.68
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;propane?
The IUPAC name of 1,3-dioxol-2-one;ethane;propane (CID 90922106) is 1,3-dioxol-2-one;ethane;propane.
What is the SMILES notation for 1,3-dioxol-2-one;ethane;propane?
The canonical SMILES for 1,3-dioxol-2-one;ethane;propane is CC.CCC.O=c1occo1.
What is the InChIKey of 1,3-dioxol-2-one;ethane;propane?
The InChIKey is MICRYYOXZGIYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O3.C3H8.C2H6/c4-3-5-1-2-6-3;1-3-2;1-2/h1-2H;3H2,1-2H3;1-2H3.
What are the key properties of 1,3-dioxol-2-one;ethane;propane?
1,3-dioxol-2-one;ethane;propane has a molecular weight of 160.21 g/mol, XLogP of 2.68, 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;propane is sourced from PubChem (CID 90922106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).