3-methoxybut-1-ene

C5H10O — CID 551191

IUPAC3-methoxybut-1-ene
SMILESC=CC(C)OC
InChIInChI=1S/C5H10O/c1-4-5(2)6-3/h4-5H,1H2,2-3H3
InChIKeyMALHZSOXIOUUQH-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.21
Rot. Bonds2

About 3-methoxybut-1-ene

3-methoxybut-1-ene (PubChem CID 551191) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 3-methoxybut-1-ene.

Molecular Properties

Compound Name3-methoxybut-1-ene
PubChem CID551191
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name3-methoxybut-1-ene
SMILESC=CC(C)OC
InChIInChI=1S/C5H10O/c1-4-5(2)6-3/h4-5H,1H2,2-3H3
InChIKeyMALHZSOXIOUUQH-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 3-methoxybut-1-ene?
The IUPAC name of 3-methoxybut-1-ene (CID 551191) is 3-methoxybut-1-ene.
What is the SMILES notation for 3-methoxybut-1-ene?
The canonical SMILES for 3-methoxybut-1-ene is C=CC(C)OC.
What is the InChIKey of 3-methoxybut-1-ene?
The InChIKey is MALHZSOXIOUUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-4-5(2)6-3/h4-5H,1H2,2-3H3.
What are the key properties of 3-methoxybut-1-ene?
3-methoxybut-1-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 3-methoxybut-1-ene is sourced from PubChem (CID 551191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).