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

C8H18O3 — CID 91581016

IUPAC1,3-dioxolan-2-one;ethane;propane
SMILESCC.CCC.O=C1OCCO1
InChIInChI=1S/C3H4O3.C3H8.C2H6/c4-3-5-1-2-6-3;1-3-2;1-2/h1-2H2;3H2,1-2H3;1-2H3
InChIKeySYGCTZGNYWMBDS-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.60
Rot. Bonds

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

1,3-dioxolan-2-one;ethane;propane (PubChem CID 91581016) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;ethane;propane.

Molecular Properties

Compound Name1,3-dioxolan-2-one;ethane;propane
PubChem CID91581016
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1,3-dioxolan-2-one;ethane;propane
SMILESCC.CCC.O=C1OCCO1
InChIInChI=1S/C3H4O3.C3H8.C2H6/c4-3-5-1-2-6-3;1-3-2;1-2/h1-2H2;3H2,1-2H3;1-2H3
InChIKeySYGCTZGNYWMBDS-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dioxolan-2-one;ethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;ethane;propane?
The IUPAC name of 1,3-dioxolan-2-one;ethane;propane (CID 91581016) is 1,3-dioxolan-2-one;ethane;propane.
What is the SMILES notation for 1,3-dioxolan-2-one;ethane;propane?
The canonical SMILES for 1,3-dioxolan-2-one;ethane;propane is CC.CCC.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;ethane;propane?
The InChIKey is SYGCTZGNYWMBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.C3H8.C2H6/c4-3-5-1-2-6-3;1-3-2;1-2/h1-2H2;3H2,1-2H3;1-2H3.
What are the key properties of 1,3-dioxolan-2-one;ethane;propane?
1,3-dioxolan-2-one;ethane;propane has a molecular weight of 162.23 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;ethane;propane is sourced from PubChem (CID 91581016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).