(E)-1-iodo-2-methylbut-1-ene

C5H9I — CID 19792910

IUPAC(E)-1-iodo-2-methylbut-1-ene
SMILESCC/C(C)=C/I
InChIInChI=1S/C5H9I/c1-3-5(2)4-6/h4H,3H2,1-2H3/b5-4+
InChIKeyCZUKZUBREQHGIZ-SNAWJCMRSA-N
MW196.03 g/mol
LogP2.74
Rot. Bonds1

About (E)-1-iodo-2-methylbut-1-ene

(E)-1-iodo-2-methylbut-1-ene (PubChem CID 19792910) has the molecular formula C5H9I and a molecular weight of 196.03 g/mol. Its IUPAC name is (E)-1-iodo-2-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-iodo-2-methylbut-1-ene
PubChem CID19792910
Molecular FormulaC5H9I
Molecular Weight196.03 g/mol
Exact Mass195.97
IUPAC Name(E)-1-iodo-2-methylbut-1-ene
SMILESCC/C(C)=C/I
InChIInChI=1S/C5H9I/c1-3-5(2)4-6/h4H,3H2,1-2H3/b5-4+
InChIKeyCZUKZUBREQHGIZ-SNAWJCMRSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-butene
CID 11240
4-Iodo-2-methylbut-1-ene
CID 10262076
3-Iodo-2-methylprop-1-ene
CID 10877752
1-Propene, 1-iodo-2-methyl-
CID 11041348
2-Iodobutene
CID 14042947
cis-1-Iodo-2-methyl-1-butene
CID 44238476
1-Pentene, 5-iodo-2-methyl-
CID 10375813
2,3-Di(iodomethyl)-1,3-butadiene
CID 11067601
(R)-2-Iodo-3-(iodomethyl)but-1-ene
CID 11313267
(E)-1-iodo-2-methylhex-1-ene
CID 12542067
(Z)-1-iodo-2-methylhex-1-ene
CID 12542068
(Z)-1-iodo-2-ethylpent-1-ene
CID 117640449

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-2-methylbut-1-ene?
The IUPAC name of (E)-1-iodo-2-methylbut-1-ene (CID 19792910) is (E)-1-iodo-2-methylbut-1-ene.
What is the SMILES notation for (E)-1-iodo-2-methylbut-1-ene?
The canonical SMILES for (E)-1-iodo-2-methylbut-1-ene is CC/C(C)=C/I.
What is the InChIKey of (E)-1-iodo-2-methylbut-1-ene?
The InChIKey is CZUKZUBREQHGIZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9I/c1-3-5(2)4-6/h4H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-1-iodo-2-methylbut-1-ene?
(E)-1-iodo-2-methylbut-1-ene has a molecular weight of 196.03 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-2-methylbut-1-ene is sourced from PubChem (CID 19792910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).