1-methoxybut-2-ene

C5H10O — CID 551174

IUPAC1-methoxybut-2-ene
SMILESCC=CCOC
InChIInChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H,5H2,1-2H3
InChIKeyLQBZMLRJLRSDNW-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.21
Rot. Bonds2

About 1-methoxybut-2-ene

1-methoxybut-2-ene (PubChem CID 551174) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 1-methoxybut-2-ene.

Molecular Properties

Compound Name1-methoxybut-2-ene
PubChem CID551174
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name1-methoxybut-2-ene
SMILESCC=CCOC
InChIInChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H,5H2,1-2H3
InChIKeyLQBZMLRJLRSDNW-UHFFFAOYSA-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 1-methoxybut-2-ene?
The IUPAC name of 1-methoxybut-2-ene (CID 551174) is 1-methoxybut-2-ene.
What is the SMILES notation for 1-methoxybut-2-ene?
The canonical SMILES for 1-methoxybut-2-ene is CC=CCOC.
What is the InChIKey of 1-methoxybut-2-ene?
The InChIKey is LQBZMLRJLRSDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H,5H2,1-2H3.
What are the key properties of 1-methoxybut-2-ene?
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 1-methoxybut-2-ene is sourced from PubChem (CID 551174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).