2,3-bis(iodomethyl)-4-methylpenta-1,3-diene

C8H12I2 — CID 155659813

IUPAC2,3-bis(iodomethyl)-4-methylpenta-1,3-diene
SMILESC=C(CI)C(CI)=C(C)C
InChIInChI=1S/C8H12I2/c1-6(2)8(5-10)7(3)4-9/h3-5H2,1-2H3
InChIKeyGRVAOGCRKSSWHT-UHFFFAOYSA-N
MW361.99 g/mol
LogP3.75
Rot. Bonds3

About 2,3-bis(iodomethyl)-4-methylpenta-1,3-diene

2,3-bis(iodomethyl)-4-methylpenta-1,3-diene (PubChem CID 155659813) has the molecular formula C8H12I2 and a molecular weight of 361.99 g/mol. Its IUPAC name is 2,3-bis(iodomethyl)-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name2,3-bis(iodomethyl)-4-methylpenta-1,3-diene
PubChem CID155659813
Molecular FormulaC8H12I2
Molecular Weight361.99 g/mol
Exact Mass361.90
IUPAC Name2,3-bis(iodomethyl)-4-methylpenta-1,3-diene
SMILESC=C(CI)C(CI)=C(C)C
InChIInChI=1S/C8H12I2/c1-6(2)8(5-10)7(3)4-9/h3-5H2,1-2H3
InChIKeyGRVAOGCRKSSWHT-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.99
LogP ≤ 53.75
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'}

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Related Compounds

Tetramethylbutadiene
CID 9877352
Iodo-4-methyl-3,5-hexadiene
CID 53950976
(3E,5Z)-3-iodo-2-methylhepta-1,3,5-triene
CID 134856403
(3E,5Z)-2-fluoro-4-iodo-5-methylhepta-1,3,5-triene
CID 88575400
(3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene
CID 146239579
(2Z,4Z)-2-fluoro-3-(iodomethyl)-4-methylhexa-2,4-diene
CID 156381573
(3E,5Z)-4-fluoro-2-iodo-5-methylhepta-1,3,5-triene
CID 156532070
(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
CID 167239057
(2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene
CID 11013883
(3E)-6-iodo-4-methylhexa-1,3-diene
CID 11953725
(3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene
CID 12981007
(3Z,5Z)-4-ethyl-3,6-diiododeca-3,5-diene
CID 101707857

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(iodomethyl)-4-methylpenta-1,3-diene?
The IUPAC name of 2,3-bis(iodomethyl)-4-methylpenta-1,3-diene (CID 155659813) is 2,3-bis(iodomethyl)-4-methylpenta-1,3-diene.
What is the SMILES notation for 2,3-bis(iodomethyl)-4-methylpenta-1,3-diene?
The canonical SMILES for 2,3-bis(iodomethyl)-4-methylpenta-1,3-diene is C=C(CI)C(CI)=C(C)C.
What is the InChIKey of 2,3-bis(iodomethyl)-4-methylpenta-1,3-diene?
The InChIKey is GRVAOGCRKSSWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12I2/c1-6(2)8(5-10)7(3)4-9/h3-5H2,1-2H3.
What are the key properties of 2,3-bis(iodomethyl)-4-methylpenta-1,3-diene?
2,3-bis(iodomethyl)-4-methylpenta-1,3-diene has a molecular weight of 361.99 g/mol, XLogP of 3.75, 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)-4-methylpenta-1,3-diene is sourced from PubChem (CID 155659813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).