1-iodo-2-methylbut-1-ene

C5H9I — CID 74961232

IUPAC1-iodo-2-methylbut-1-ene
SMILESCCC(C)=CI
InChIInChI=1S/C5H9I/c1-3-5(2)4-6/h4H,3H2,1-2H3
InChIKeyCZUKZUBREQHGIZ-UHFFFAOYSA-N
MW196.03 g/mol
LogP2.74
Rot. Bonds1

About 1-iodo-2-methylbut-1-ene

1-iodo-2-methylbut-1-ene (PubChem CID 74961232) has the molecular formula C5H9I and a molecular weight of 196.03 g/mol. Its IUPAC name is 1-iodo-2-methylbut-1-ene.

Molecular Properties

Compound Name1-iodo-2-methylbut-1-ene
PubChem CID74961232
Molecular FormulaC5H9I
Molecular Weight196.03 g/mol
Exact Mass195.97
IUPAC Name1-iodo-2-methylbut-1-ene
SMILESCCC(C)=CI
InChIInChI=1S/C5H9I/c1-3-5(2)4-6/h4H,3H2,1-2H3
InChIKeyCZUKZUBREQHGIZ-UHFFFAOYSA-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
trans-1-Iodo-2-methyl-1-butene
CID 19792910
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

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methylbut-1-ene?
The IUPAC name of 1-iodo-2-methylbut-1-ene (CID 74961232) is 1-iodo-2-methylbut-1-ene.
What is the SMILES notation for 1-iodo-2-methylbut-1-ene?
The canonical SMILES for 1-iodo-2-methylbut-1-ene is CCC(C)=CI.
What is the InChIKey of 1-iodo-2-methylbut-1-ene?
The InChIKey is CZUKZUBREQHGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9I/c1-3-5(2)4-6/h4H,3H2,1-2H3.
What are the key properties of 1-iodo-2-methylbut-1-ene?
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 1-iodo-2-methylbut-1-ene is sourced from PubChem (CID 74961232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).