2,3-bis(iodomethyl)buta-1,3-diene

C6H8I2 — CID 11067601

IUPAC2,3-bis(iodomethyl)buta-1,3-diene
SMILESC=C(CI)C(=C)CI
InChIInChI=1S/C6H8I2/c1-5(3-7)6(2)4-8/h1-4H2
InChIKeyKBBOFBQKNXNBFY-UHFFFAOYSA-N
MW333.94 g/mol
LogP2.97
Rot. Bonds3

About 2,3-bis(iodomethyl)buta-1,3-diene

2,3-bis(iodomethyl)buta-1,3-diene (PubChem CID 11067601) has the molecular formula C6H8I2 and a molecular weight of 333.94 g/mol. Its IUPAC name is 2,3-bis(iodomethyl)buta-1,3-diene.

Molecular Properties

Compound Name2,3-bis(iodomethyl)buta-1,3-diene
PubChem CID11067601
Molecular FormulaC6H8I2
Molecular Weight333.94 g/mol
Exact Mass333.87
IUPAC Name2,3-bis(iodomethyl)buta-1,3-diene
SMILESC=C(CI)C(=C)CI
InChIInChI=1S/C6H8I2/c1-5(3-7)6(2)4-8/h1-4H2
InChIKeyKBBOFBQKNXNBFY-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.94
LogP ≤ 52.97
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2,3-bis(iodomethyl)buta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-Iodo-2-ethyl-1-propene
CID 10932362
3-Iodo-2-methyl-1-butene
CID 21255799
e-1,4-Diiodo-2-methyl-1-butene
CID 11163030
(Z)-1,4-diiodo-2-methylbut-1-ene
CID 11267218
(1Z,3Z)-1,4-diiodo-2,3-dimethylbuta-1,3-diene
CID 45358282
(1E)-1-iodo-2,3-dimethyl-1,3-butadiene
CID 12542069
2-Iodo-3-methylbuta-1,3-diene
CID 15365616
1-Iodo-2-methylbut-1-ene
CID 74961232
1-Iodo-2,3-dimethylbuta-1,3-diene
CID 85441066

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(iodomethyl)buta-1,3-diene?
The IUPAC name of 2,3-bis(iodomethyl)buta-1,3-diene (CID 11067601) is 2,3-bis(iodomethyl)buta-1,3-diene.
What is the SMILES notation for 2,3-bis(iodomethyl)buta-1,3-diene?
The canonical SMILES for 2,3-bis(iodomethyl)buta-1,3-diene is C=C(CI)C(=C)CI.
What is the InChIKey of 2,3-bis(iodomethyl)buta-1,3-diene?
The InChIKey is KBBOFBQKNXNBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8I2/c1-5(3-7)6(2)4-8/h1-4H2.
What are the key properties of 2,3-bis(iodomethyl)buta-1,3-diene?
2,3-bis(iodomethyl)buta-1,3-diene has a molecular weight of 333.94 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(iodomethyl)buta-1,3-diene is sourced from PubChem (CID 11067601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).