but-3-enyl formate

C5H8O2 — CID 10909500

IUPACbut-3-enyl formate
SMILESC=CCCOC=O
InChIInChI=1S/C5H8O2/c1-2-3-4-7-5-6/h2,5H,1,3-4H2
InChIKeyGJHFHFFIHLKQIH-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.74
Rot. Bonds4

About but-3-enyl formate

but-3-enyl formate (PubChem CID 10909500) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is but-3-enyl formate.

Molecular Properties

Compound Namebut-3-enyl formate
PubChem CID10909500
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Namebut-3-enyl formate
SMILESC=CCCOC=O
InChIInChI=1S/C5H8O2/c1-2-3-4-7-5-6/h2,5H,1,3-4H2
InChIKeyGJHFHFFIHLKQIH-UHFFFAOYSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

copper;prop-2-enyl formate
CID 88526438
3-oxopent-4-enyl formate
CID 21299965
[(E)-pent-3-enyl] formate
CID 14644551
[(Z)-5-aminopent-3-enyl] formate
CID 144716376
2-iodoethyl formate
CID 18329598
3-methylpent-4-enyl formate
CID 54050128
bis(but-3-enoxy)silane
CID 123606588
2-bromoethyl formate;ethane
CID 143917074
formic acid;hexa-1,5-diene
CID 174904293
pent-4-enal
CID 16418
4-ethoxybut-1-ene
CID 533994
N-but-3-enoxymethanimine
CID 173263350

Frequently Asked Questions

What is the IUPAC name of but-3-enyl formate?
The IUPAC name of but-3-enyl formate (CID 10909500) is but-3-enyl formate.
What is the SMILES notation for but-3-enyl formate?
The canonical SMILES for but-3-enyl formate is C=CCCOC=O.
What is the InChIKey of but-3-enyl formate?
The InChIKey is GJHFHFFIHLKQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-3-4-7-5-6/h2,5H,1,3-4H2.
What are the key properties of but-3-enyl formate?
but-3-enyl formate has a molecular weight of 100.12 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl formate is sourced from PubChem (CID 10909500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).