(E)-1-iodo-3-methylbut-1-ene

C5H9I — CID 14571425

IUPAC(E)-1-iodo-3-methylbut-1-ene
SMILESCC(C)/C=C/I
InChIInChI=1S/C5H9I/c1-5(2)3-4-6/h3-5H,1-2H3/b4-3+
InChIKeySESUMRHCXRFUHX-ONEGZZNKSA-N
MW196.03 g/mol
LogP2.59
Rot. Bonds1

About (E)-1-iodo-3-methylbut-1-ene

(E)-1-iodo-3-methylbut-1-ene (PubChem CID 14571425) has the molecular formula C5H9I and a molecular weight of 196.03 g/mol. Its IUPAC name is (E)-1-iodo-3-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-iodo-3-methylbut-1-ene
PubChem CID14571425
Molecular FormulaC5H9I
Molecular Weight196.03 g/mol
Exact Mass195.97
IUPAC Name(E)-1-iodo-3-methylbut-1-ene
SMILESCC(C)/C=C/I
InChIInChI=1S/C5H9I/c1-5(2)3-4-6/h3-5H,1-2H3/b4-3+
InChIKeySESUMRHCXRFUHX-ONEGZZNKSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-3-methylbut-1-ene?
The IUPAC name of (E)-1-iodo-3-methylbut-1-ene (CID 14571425) is (E)-1-iodo-3-methylbut-1-ene.
What is the SMILES notation for (E)-1-iodo-3-methylbut-1-ene?
The canonical SMILES for (E)-1-iodo-3-methylbut-1-ene is CC(C)/C=C/I.
What is the InChIKey of (E)-1-iodo-3-methylbut-1-ene?
The InChIKey is SESUMRHCXRFUHX-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9I/c1-5(2)3-4-6/h3-5H,1-2H3/b4-3+.
What are the key properties of (E)-1-iodo-3-methylbut-1-ene?
(E)-1-iodo-3-methylbut-1-ene has a molecular weight of 196.03 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-3-methylbut-1-ene is sourced from PubChem (CID 14571425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).