4-iodobut-1-ene

C4H7I — CID 543216

IUPAC4-iodobut-1-ene
SMILESC=CCCI
InChIInChI=1S/C4H7I/c1-2-3-4-5/h2H,1,3-4H2
InChIKeyVUSYNHBKPCGGCI-UHFFFAOYSA-N
MW182.00 g/mol
LogP2.00
Rot. Bonds2

About 4-iodobut-1-ene

4-iodobut-1-ene (PubChem CID 543216) has the molecular formula C4H7I and a molecular weight of 182.00 g/mol. Its IUPAC name is 4-iodobut-1-ene.

Molecular Properties

Compound Name4-iodobut-1-ene
PubChem CID543216
Molecular FormulaC4H7I
Molecular Weight182.00 g/mol
Exact Mass181.96
IUPAC Name4-iodobut-1-ene
SMILESC=CCCI
InChIInChI=1S/C4H7I/c1-2-3-4-5/h2H,1,3-4H2
InChIKeyVUSYNHBKPCGGCI-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.00
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-Iodo-1-hexene
CID 10878409
5-Iodopent-1-ene
CID 10987172
4-Iodopent-1-ene
CID 13244562
E-1-iodo-1-butene
CID 10986905
cis-1-Iodo-1-pentene
CID 11116953
1-Iodo-(z)-1-butene
CID 11830050
(E)-1-iodo-1-pentene
CID 12173745
3-Iodo-1-pentene
CID 54238517
4,4-Diiodo-1-butene
CID 86216225
4-Iodohepta-1,6-diene
CID 15946465
(1Z,4Z)-1,5-Diiodo-1,4-pentadiene
CID 92033249
1,4-Diiodobutene
CID 20372316

Frequently Asked Questions

What is the IUPAC name of 4-iodobut-1-ene?
The IUPAC name of 4-iodobut-1-ene (CID 543216) is 4-iodobut-1-ene.
What is the SMILES notation for 4-iodobut-1-ene?
The canonical SMILES for 4-iodobut-1-ene is C=CCCI.
What is the InChIKey of 4-iodobut-1-ene?
The InChIKey is VUSYNHBKPCGGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7I/c1-2-3-4-5/h2H,1,3-4H2.
What are the key properties of 4-iodobut-1-ene?
4-iodobut-1-ene has a molecular weight of 182.00 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobut-1-ene is sourced from PubChem (CID 543216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).