(2E,4E)-2-chloro-4-iodohexa-2,4-diene

C6H8ClI — CID 163726069

IUPAC(2E,4E)-2-chloro-4-iodohexa-2,4-diene
SMILESC/C=C(I)\C=C(/C)Cl
InChIInChI=1S/C6H8ClI/c1-3-6(8)4-5(2)7/h3-4H,1-2H3/b5-4+,6-3+
InChIKeyKVQYVVHPWYGMFQ-UTTVJGTNSA-N
MW242.49 g/mol
LogP3.47
Rot. Bonds1

About (2E,4E)-2-chloro-4-iodohexa-2,4-diene

(2E,4E)-2-chloro-4-iodohexa-2,4-diene (PubChem CID 163726069) has the molecular formula C6H8ClI and a molecular weight of 242.49 g/mol. Its IUPAC name is (2E,4E)-2-chloro-4-iodohexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-2-chloro-4-iodohexa-2,4-diene
PubChem CID163726069
Molecular FormulaC6H8ClI
Molecular Weight242.49 g/mol
Exact Mass241.94
IUPAC Name(2E,4E)-2-chloro-4-iodohexa-2,4-diene
SMILESC/C=C(I)\C=C(/C)Cl
InChIInChI=1S/C6H8ClI/c1-3-6(8)4-5(2)7/h3-4H,1-2H3/b5-4+,6-3+
InChIKeyKVQYVVHPWYGMFQ-UTTVJGTNSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-chlorobut-2-enoic acid;gallane
CID 173230251
1-fluoro-1-iodoprop-1-ene
CID 175825519
bis((Z)-3-chlorobut-2-enoate);mercury(2+)
CID 22603930
(E)-3-chloro-1-fluorobut-2-ene
CID 142277240
3-chloro-N,N-dimethylbut-2-enamide
CID 137318656
1,1-dichloroprop-1-ene
CID 157073234
2-chloroprop-1-en-1-amine
CID 151379752
(E)-2-chloroprop-1-ene-1-thiol
CID 143576946
4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene
CID 174983751
(E)-2,5-dichlorohex-4-en-3-one
CID 123840362
N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine
CID 167167541
carbonyl dichloride;propan-2-one
CID 161102507

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-chloro-4-iodohexa-2,4-diene?
The IUPAC name of (2E,4E)-2-chloro-4-iodohexa-2,4-diene (CID 163726069) is (2E,4E)-2-chloro-4-iodohexa-2,4-diene.
What is the SMILES notation for (2E,4E)-2-chloro-4-iodohexa-2,4-diene?
The canonical SMILES for (2E,4E)-2-chloro-4-iodohexa-2,4-diene is C/C=C(I)\C=C(/C)Cl.
What is the InChIKey of (2E,4E)-2-chloro-4-iodohexa-2,4-diene?
The InChIKey is KVQYVVHPWYGMFQ-UTTVJGTNSA-N. The full InChI is InChI=1S/C6H8ClI/c1-3-6(8)4-5(2)7/h3-4H,1-2H3/b5-4+,6-3+.
What are the key properties of (2E,4E)-2-chloro-4-iodohexa-2,4-diene?
(2E,4E)-2-chloro-4-iodohexa-2,4-diene has a molecular weight of 242.49 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-chloro-4-iodohexa-2,4-diene is sourced from PubChem (CID 163726069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).