ethene;4-propoxyoxane

C10H20O2 — CID 67319195

IUPACethene;4-propoxyoxane
SMILESC=C.CCCOC1CCOCC1
InChIInChI=1S/C8H16O2.C2H4/c1-2-5-10-8-3-6-9-7-4-8;1-2/h8H,2-7H2,1H3;1-2H2
InChIKeyNJZJVNYPVUWFRX-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.39
Rot. Bonds3

About ethene;4-propoxyoxane

ethene;4-propoxyoxane (PubChem CID 67319195) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is ethene;4-propoxyoxane.

Molecular Properties

Compound Nameethene;4-propoxyoxane
PubChem CID67319195
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nameethene;4-propoxyoxane
SMILESC=C.CCCOC1CCOCC1
InChIInChI=1S/C8H16O2.C2H4/c1-2-5-10-8-3-6-9-7-4-8;1-2/h8H,2-7H2,1H3;1-2H2
InChIKeyNJZJVNYPVUWFRX-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethene;4-propoxyoxane 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 ethene;4-propoxyoxane?
The IUPAC name of ethene;4-propoxyoxane (CID 67319195) is ethene;4-propoxyoxane.
What is the SMILES notation for ethene;4-propoxyoxane?
The canonical SMILES for ethene;4-propoxyoxane is C=C.CCCOC1CCOCC1.
What is the InChIKey of ethene;4-propoxyoxane?
The InChIKey is NJZJVNYPVUWFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H4/c1-2-5-10-8-3-6-9-7-4-8;1-2/h8H,2-7H2,1H3;1-2H2.
What are the key properties of ethene;4-propoxyoxane?
ethene;4-propoxyoxane has a molecular weight of 172.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-propoxyoxane is sourced from PubChem (CID 67319195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).