ethane;oxane

C19H42O3 — CID 159701854

IUPACethane;oxane
SMILESC1CCOCC1.C1CCOCC1.C1CCOCC1.CC.CC
InChIInChI=1S/3C5H10O.2C2H6/c3*1-2-4-6-5-3-1;2*1-2/h3*1-5H2;2*1-2H3
InChIKeyMXSKAJDYJMQMJS-UHFFFAOYSA-N
MW318.54 g/mol
LogP5.61
Rot. Bonds

About ethane;oxane

ethane;oxane (PubChem CID 159701854) has the molecular formula C19H42O3 and a molecular weight of 318.54 g/mol. Its IUPAC name is ethane;oxane.

Molecular Properties

Compound Nameethane;oxane
PubChem CID159701854
Molecular FormulaC19H42O3
Molecular Weight318.54 g/mol
Exact Mass318.31
IUPAC Nameethane;oxane
SMILESC1CCOCC1.C1CCOCC1.C1CCOCC1.CC.CC
InChIInChI=1S/3C5H10O.2C2H6/c3*1-2-4-6-5-3-1;2*1-2/h3*1-5H2;2*1-2H3
InChIKeyMXSKAJDYJMQMJS-UHFFFAOYSA-N
XLogP5.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.54
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;oxane 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 ethane;oxane?
The IUPAC name of ethane;oxane (CID 159701854) is ethane;oxane.
What is the SMILES notation for ethane;oxane?
The canonical SMILES for ethane;oxane is C1CCOCC1.C1CCOCC1.C1CCOCC1.CC.CC.
What is the InChIKey of ethane;oxane?
The InChIKey is MXSKAJDYJMQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H10O.2C2H6/c3*1-2-4-6-5-3-1;2*1-2/h3*1-5H2;2*1-2H3.
What are the key properties of ethane;oxane?
ethane;oxane has a molecular weight of 318.54 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxane is sourced from PubChem (CID 159701854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).