(E)-1-methoxybut-2-ene

C5H10O — CID 5366216

IUPAC(E)-1-methoxybut-2-ene
SMILESC/C=C/COC
InChIInChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H,5H2,1-2H3/b4-3+
InChIKeyLQBZMLRJLRSDNW-ONEGZZNKSA-N
MW86.13 g/mol
LogP1.21
Rot. Bonds2

About (E)-1-methoxybut-2-ene

(E)-1-methoxybut-2-ene (PubChem CID 5366216) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (E)-1-methoxybut-2-ene.

Molecular Properties

Compound Name(E)-1-methoxybut-2-ene
PubChem CID5366216
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(E)-1-methoxybut-2-ene
SMILESC/C=C/COC
InChIInChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H,5H2,1-2H3/b4-3+
InChIKeyLQBZMLRJLRSDNW-ONEGZZNKSA-N
XLogP1.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxybut-2-ene?
The IUPAC name of (E)-1-methoxybut-2-ene (CID 5366216) is (E)-1-methoxybut-2-ene.
What is the SMILES notation for (E)-1-methoxybut-2-ene?
The canonical SMILES for (E)-1-methoxybut-2-ene is C/C=C/COC.
What is the InChIKey of (E)-1-methoxybut-2-ene?
The InChIKey is LQBZMLRJLRSDNW-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-1-methoxybut-2-ene?
(E)-1-methoxybut-2-ene has a molecular weight of 86.13 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxybut-2-ene is sourced from PubChem (CID 5366216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).