(3R)-2,4-diiodo-3-methylbut-1-ene

C5H8I2 — CID 11313267

IUPAC(3R)-2,4-diiodo-3-methylbut-1-ene
SMILESC=C(I)[C@H](C)CI
InChIInChI=1S/C5H8I2/c1-4(3-6)5(2)7/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyVOZYPLHSNKQLQD-SCSAIBSYSA-N
MW321.93 g/mol
LogP3.01
Rot. Bonds2

About (3R)-2,4-diiodo-3-methylbut-1-ene

(3R)-2,4-diiodo-3-methylbut-1-ene (PubChem CID 11313267) has the molecular formula C5H8I2 and a molecular weight of 321.93 g/mol. Its IUPAC name is (3R)-2,4-diiodo-3-methylbut-1-ene.

Molecular Properties

Compound Name(3R)-2,4-diiodo-3-methylbut-1-ene
PubChem CID11313267
Molecular FormulaC5H8I2
Molecular Weight321.93 g/mol
Exact Mass321.87
IUPAC Name(3R)-2,4-diiodo-3-methylbut-1-ene
SMILESC=C(I)[C@H](C)CI
InChIInChI=1S/C5H8I2/c1-4(3-6)5(2)7/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyVOZYPLHSNKQLQD-SCSAIBSYSA-N
XLogP3.01
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 ≤ 53.01
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
(E)-1-iodo-3-methylbut-1-ene
CID 14571425
cis-1-Iodo-2-methyl-1-butene
CID 44238476
trans-1-Iodo-2-methyl-1-butene
CID 19792910
(Z)-1-Iodo-3-methyl-1-butene
CID 14571426
InChI=1/C5H8I2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3/b5-4
CID 5325507
(Z)-1,2-diiodopent-1-ene
CID 12032277
(3S)-4-iodo-3-methylbut-1-ene
CID 14191666
1-Iodo-3-methylbutene
CID 71380237
3-Iodo-2-ethyl-1-propene
CID 10932362
4-Iodo-3-methyl-1-butene
CID 14191665
3-Iodo-2-methyl-1-butene
CID 21255799

Frequently Asked Questions

What is the IUPAC name of (3R)-2,4-diiodo-3-methylbut-1-ene?
The IUPAC name of (3R)-2,4-diiodo-3-methylbut-1-ene (CID 11313267) is (3R)-2,4-diiodo-3-methylbut-1-ene.
What is the SMILES notation for (3R)-2,4-diiodo-3-methylbut-1-ene?
The canonical SMILES for (3R)-2,4-diiodo-3-methylbut-1-ene is C=C(I)[C@H](C)CI.
What is the InChIKey of (3R)-2,4-diiodo-3-methylbut-1-ene?
The InChIKey is VOZYPLHSNKQLQD-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8I2/c1-4(3-6)5(2)7/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-2,4-diiodo-3-methylbut-1-ene?
(3R)-2,4-diiodo-3-methylbut-1-ene has a molecular weight of 321.93 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,4-diiodo-3-methylbut-1-ene is sourced from PubChem (CID 11313267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).