(Z)-1,4-diiodo-2-methylbut-1-ene

C5H8I2 — CID 11267218

IUPAC(Z)-1,4-diiodo-2-methylbut-1-ene
SMILESC/C(=C/I)CCI
InChIInChI=1S/C5H8I2/c1-5(4-7)2-3-6/h4H,2-3H2,1H3/b5-4-
InChIKeyUXCTVKGDGNHBCQ-PLNGDYQASA-N
MW321.93 g/mol
LogP3.15
Rot. Bonds2

About (Z)-1,4-diiodo-2-methylbut-1-ene

(Z)-1,4-diiodo-2-methylbut-1-ene (PubChem CID 11267218) has the molecular formula C5H8I2 and a molecular weight of 321.93 g/mol. Its IUPAC name is (Z)-1,4-diiodo-2-methylbut-1-ene.

Molecular Properties

Compound Name(Z)-1,4-diiodo-2-methylbut-1-ene
PubChem CID11267218
Molecular FormulaC5H8I2
Molecular Weight321.93 g/mol
Exact Mass321.87
IUPAC Name(Z)-1,4-diiodo-2-methylbut-1-ene
SMILESC/C(=C/I)CCI
InChIInChI=1S/C5H8I2/c1-5(4-7)2-3-6/h4H,2-3H2,1H3/b5-4-
InChIKeyUXCTVKGDGNHBCQ-PLNGDYQASA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.93
LogP ≤ 53.15
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'}

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Related Compounds

4-Iodo-2-methylbut-1-ene
CID 10262076
cis-1-Iodo-2-methyl-1-butene
CID 44238476
trans-1-Iodo-2-methyl-1-butene
CID 19792910
InChI=1/C5H8I2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3/b5-4
CID 5325507
1-Pentene, 5-iodo-2-methyl-
CID 10375813
(Z)-1,2-diiodopent-1-ene
CID 12032277
2,3-Di(iodomethyl)-1,3-butadiene
CID 11067601
(R)-2-Iodo-3-(iodomethyl)but-1-ene
CID 11313267
1,3-Diiodo-2-methylprop-1-ene
CID 117778436
3-Iodo-2-ethyl-1-propene
CID 10932362
3-Iodo-2-methyl-1-butene
CID 21255799
2-Iodo-3-methyl-1-butene
CID 89010345

Frequently Asked Questions

What is the IUPAC name of (Z)-1,4-diiodo-2-methylbut-1-ene?
The IUPAC name of (Z)-1,4-diiodo-2-methylbut-1-ene (CID 11267218) is (Z)-1,4-diiodo-2-methylbut-1-ene.
What is the SMILES notation for (Z)-1,4-diiodo-2-methylbut-1-ene?
The canonical SMILES for (Z)-1,4-diiodo-2-methylbut-1-ene is C/C(=C/I)CCI.
What is the InChIKey of (Z)-1,4-diiodo-2-methylbut-1-ene?
The InChIKey is UXCTVKGDGNHBCQ-PLNGDYQASA-N. The full InChI is InChI=1S/C5H8I2/c1-5(4-7)2-3-6/h4H,2-3H2,1H3/b5-4-.
What are the key properties of (Z)-1,4-diiodo-2-methylbut-1-ene?
(Z)-1,4-diiodo-2-methylbut-1-ene has a molecular weight of 321.93 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-diiodo-2-methylbut-1-ene is sourced from PubChem (CID 11267218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).