ethene;1-ethenoxypropane

C7H14O — CID 22558261

IUPACethene;1-ethenoxypropane
SMILESC=C.C=COCCC
InChIInChI=1S/C5H10O.C2H4/c1-3-5-6-4-2;1-2/h4H,2-3,5H2,1H3;1-2H2
InChIKeyPOQYDDQHWCCGIZ-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.36
Rot. Bonds3

About ethene;1-ethenoxypropane

ethene;1-ethenoxypropane (PubChem CID 22558261) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is ethene;1-ethenoxypropane.

Molecular Properties

Compound Nameethene;1-ethenoxypropane
PubChem CID22558261
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Nameethene;1-ethenoxypropane
SMILESC=C.C=COCCC
InChIInChI=1S/C5H10O.C2H4/c1-3-5-6-4-2;1-2/h4H,2-3,5H2,1H3;1-2H2
InChIKeyPOQYDDQHWCCGIZ-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethene;1-ethenoxypropane 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;1-ethenoxypropane?
The IUPAC name of ethene;1-ethenoxypropane (CID 22558261) is ethene;1-ethenoxypropane.
What is the SMILES notation for ethene;1-ethenoxypropane?
The canonical SMILES for ethene;1-ethenoxypropane is C=C.C=COCCC.
What is the InChIKey of ethene;1-ethenoxypropane?
The InChIKey is POQYDDQHWCCGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C2H4/c1-3-5-6-4-2;1-2/h4H,2-3,5H2,1H3;1-2H2.
What are the key properties of ethene;1-ethenoxypropane?
ethene;1-ethenoxypropane has a molecular weight of 114.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-ethenoxypropane is sourced from PubChem (CID 22558261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).