(3E)-6-iodo-4-methylhexa-1,3-diene

C7H11I — CID 11953725

IUPAC(3E)-6-iodo-4-methylhexa-1,3-diene
SMILESC=C/C=C(\C)CCI
InChIInChI=1S/C7H11I/c1-3-4-7(2)5-6-8/h3-4H,1,5-6H2,2H3/b7-4+
InChIKeyXASFJPUHOYWYQF-QPJJXVBHSA-N
MW222.07 g/mol
LogP2.94
Rot. Bonds3

About (3E)-6-iodo-4-methylhexa-1,3-diene

(3E)-6-iodo-4-methylhexa-1,3-diene (PubChem CID 11953725) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is (3E)-6-iodo-4-methylhexa-1,3-diene.

Molecular Properties

Compound Name(3E)-6-iodo-4-methylhexa-1,3-diene
PubChem CID11953725
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name(3E)-6-iodo-4-methylhexa-1,3-diene
SMILESC=C/C=C(\C)CCI
InChIInChI=1S/C7H11I/c1-3-4-7(2)5-6-8/h3-4H,1,5-6H2,2H3/b7-4+
InChIKeyXASFJPUHOYWYQF-QPJJXVBHSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.94
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

2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
Dimethylhexadiene
CID 6365525
2,4-Dimethylpenta-1,3-diene
CID 66080
(3E)-2-Methyl-1,3-pentadiene
CID 638070
Cosmene
CID 5368451
2-Methylcyclopentadiene
CID 138026
1,3,5-Hexatriene, 2-methyl-, (E)-
CID 5367392
3-Methylhexa-2,4-diene
CID 120063
(Z)-1,3-Pentadiene, 2-methyl-
CID 5462887
2,5-Dimethyl-1,3,5-hexatriene
CID 5463210
(3E,5Z)-2,6-dimethylocta-1,3,5,7-tetraene
CID 12304092

Frequently Asked Questions

What is the IUPAC name of (3E)-6-iodo-4-methylhexa-1,3-diene?
The IUPAC name of (3E)-6-iodo-4-methylhexa-1,3-diene (CID 11953725) is (3E)-6-iodo-4-methylhexa-1,3-diene.
What is the SMILES notation for (3E)-6-iodo-4-methylhexa-1,3-diene?
The canonical SMILES for (3E)-6-iodo-4-methylhexa-1,3-diene is C=C/C=C(\C)CCI.
What is the InChIKey of (3E)-6-iodo-4-methylhexa-1,3-diene?
The InChIKey is XASFJPUHOYWYQF-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H11I/c1-3-4-7(2)5-6-8/h3-4H,1,5-6H2,2H3/b7-4+.
What are the key properties of (3E)-6-iodo-4-methylhexa-1,3-diene?
(3E)-6-iodo-4-methylhexa-1,3-diene has a molecular weight of 222.07 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-iodo-4-methylhexa-1,3-diene is sourced from PubChem (CID 11953725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).