(E)-1-ethenoxyprop-1-ene

C5H8O — CID 5463053

IUPAC(E)-1-ethenoxyprop-1-ene
SMILESC=CO/C=C/C
InChIInChI=1S/C5H8O/c1-3-5-6-4-2/h3-5H,2H2,1H3/b5-3+
InChIKeyYKLWPGCWVBBCTO-HWKANZROSA-N
MW84.12 g/mol
LogP1.68
Rot. Bonds2

About (E)-1-ethenoxyprop-1-ene

(E)-1-ethenoxyprop-1-ene (PubChem CID 5463053) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is (E)-1-ethenoxyprop-1-ene.

Molecular Properties

Compound Name(E)-1-ethenoxyprop-1-ene
PubChem CID5463053
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name(E)-1-ethenoxyprop-1-ene
SMILESC=CO/C=C/C
InChIInChI=1S/C5H8O/c1-3-5-6-4-2/h3-5H,2H2,1H3/b5-3+
InChIKeyYKLWPGCWVBBCTO-HWKANZROSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethenoxyprop-1-ene?
The IUPAC name of (E)-1-ethenoxyprop-1-ene (CID 5463053) is (E)-1-ethenoxyprop-1-ene.
What is the SMILES notation for (E)-1-ethenoxyprop-1-ene?
The canonical SMILES for (E)-1-ethenoxyprop-1-ene is C=CO/C=C/C.
What is the InChIKey of (E)-1-ethenoxyprop-1-ene?
The InChIKey is YKLWPGCWVBBCTO-HWKANZROSA-N. The full InChI is InChI=1S/C5H8O/c1-3-5-6-4-2/h3-5H,2H2,1H3/b5-3+.
What are the key properties of (E)-1-ethenoxyprop-1-ene?
(E)-1-ethenoxyprop-1-ene has a molecular weight of 84.12 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethenoxyprop-1-ene is sourced from PubChem (CID 5463053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).