ethoxyethane;propane

C7H18O — CID 21496418

IUPACethoxyethane;propane
SMILESCCC.CCOCC
InChIInChI=1S/C4H10O.C3H8/c1-3-5-4-2;1-3-2/h3-4H2,1-2H3;3H2,1-2H3
InChIKeyOOWREQOENWRPCO-UHFFFAOYSA-N
MW118.22 g/mol
LogP2.46
Rot. Bonds2

About ethoxyethane;propane

ethoxyethane;propane (PubChem CID 21496418) has the molecular formula C7H18O and a molecular weight of 118.22 g/mol. Its IUPAC name is ethoxyethane;propane.

Molecular Properties

Compound Nameethoxyethane;propane
PubChem CID21496418
Molecular FormulaC7H18O
Molecular Weight118.22 g/mol
Exact Mass118.14
IUPAC Nameethoxyethane;propane
SMILESCCC.CCOCC
InChIInChI=1S/C4H10O.C3H8/c1-3-5-4-2;1-3-2/h3-4H2,1-2H3;3H2,1-2H3
InChIKeyOOWREQOENWRPCO-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethoxyethane;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 ethoxyethane;propane?
The IUPAC name of ethoxyethane;propane (CID 21496418) is ethoxyethane;propane.
What is the SMILES notation for ethoxyethane;propane?
The canonical SMILES for ethoxyethane;propane is CCC.CCOCC.
What is the InChIKey of ethoxyethane;propane?
The InChIKey is OOWREQOENWRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8/c1-3-5-4-2;1-3-2/h3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of ethoxyethane;propane?
ethoxyethane;propane has a molecular weight of 118.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;propane is sourced from PubChem (CID 21496418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).