(3E)-3-iodohexa-1,3,5-triene

C6H7I — CID 170744862

IUPAC(3E)-3-iodohexa-1,3,5-triene
SMILESC=C/C=C(/I)C=C
InChIInChI=1S/C6H7I/c1-3-5-6(7)4-2/h3-5H,1-2H2/b6-5+
InChIKeyTWWRFAATMGCVSK-AATRIKPKSA-N
MW206.03 g/mol
LogP2.68
Rot. Bonds2

About (3E)-3-iodohexa-1,3,5-triene

(3E)-3-iodohexa-1,3,5-triene (PubChem CID 170744862) has the molecular formula C6H7I and a molecular weight of 206.03 g/mol. Its IUPAC name is (3E)-3-iodohexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-3-iodohexa-1,3,5-triene
PubChem CID170744862
Molecular FormulaC6H7I
Molecular Weight206.03 g/mol
Exact Mass205.96
IUPAC Name(3E)-3-iodohexa-1,3,5-triene
SMILESC=C/C=C(/I)C=C
InChIInChI=1S/C6H7I/c1-3-5-6(7)4-2/h3-5H,1-2H2/b6-5+
InChIKeyTWWRFAATMGCVSK-AATRIKPKSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.68
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

(3E,5Z)-3-iodohepta-1,3,5-triene
CID 89257521
(1Z)-1-chloro-1-iodobuta-1,3-diene
CID 87933089
(3E)-3-(iodomethyl)hexa-1,3,5-triene
CID 142115416
(3E)-3-iodo-2-methylhexa-1,3,5-triene
CID 122592605
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
ethane;(3E)-hexa-1,3,5-triene-3-thiol
CID 144755251
(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
[(2Z)-penta-2,4-dien-2-yl]boronic acid
CID 89434988
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
[(3E)-hexa-1,3,5-trien-3-yl]-trimethylsilane
CID 170523949
(2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine
CID 138555327

Frequently Asked Questions

What is the IUPAC name of (3E)-3-iodohexa-1,3,5-triene?
The IUPAC name of (3E)-3-iodohexa-1,3,5-triene (CID 170744862) is (3E)-3-iodohexa-1,3,5-triene.
What is the SMILES notation for (3E)-3-iodohexa-1,3,5-triene?
The canonical SMILES for (3E)-3-iodohexa-1,3,5-triene is C=C/C=C(/I)C=C.
What is the InChIKey of (3E)-3-iodohexa-1,3,5-triene?
The InChIKey is TWWRFAATMGCVSK-AATRIKPKSA-N. The full InChI is InChI=1S/C6H7I/c1-3-5-6(7)4-2/h3-5H,1-2H2/b6-5+.
What are the key properties of (3E)-3-iodohexa-1,3,5-triene?
(3E)-3-iodohexa-1,3,5-triene has a molecular weight of 206.03 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-iodohexa-1,3,5-triene is sourced from PubChem (CID 170744862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).