6-iodohexa-1,4-diene

C6H9I — CID 73158271

IUPAC6-iodohexa-1,4-diene
SMILESC=CCC=CCI
InChIInChI=1S/C6H9I/c1-2-3-4-5-6-7/h2,4-5H,1,3,6H2
InChIKeySKPSEZLEIPAOTG-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.55
Rot. Bonds3

About 6-iodohexa-1,4-diene

6-iodohexa-1,4-diene (PubChem CID 73158271) has the molecular formula C6H9I and a molecular weight of 208.04 g/mol. Its IUPAC name is 6-iodohexa-1,4-diene.

Molecular Properties

Compound Name6-iodohexa-1,4-diene
PubChem CID73158271
Molecular FormulaC6H9I
Molecular Weight208.04 g/mol
Exact Mass207.97
IUPAC Name6-iodohexa-1,4-diene
SMILESC=CCC=CCI
InChIInChI=1S/C6H9I/c1-2-3-4-5-6-7/h2,4-5H,1,3,6H2
InChIKeySKPSEZLEIPAOTG-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.55
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 134889000
CID 134889000
3-iodoprop-1-ene;zinc
CID 87332721
CID 134888999
CID 134888999
hexa-1,4-diene
CID 163631115
(1E)-1-fluoropenta-1,4-diene
CID 87196328
hexa-1,4-diene;hydrate
CID 162019515
(4E)-7-phosphorosohepta-1,4-diene
CID 21304200
dodeca-1,4,10-triene
CID 174048310
1,2-dichloroethene;3-iodoprop-1-ene
CID 173461495
1-penta-1,4-dienylsulfonylpenta-1,4-diene
CID 173151693
trimethyl-[(1E)-penta-1,4-dienyl]silane
CID 12533407
deca-3,6,9-trien-2-one
CID 139932510

Frequently Asked Questions

What is the IUPAC name of 6-iodohexa-1,4-diene?
The IUPAC name of 6-iodohexa-1,4-diene (CID 73158271) is 6-iodohexa-1,4-diene.
What is the SMILES notation for 6-iodohexa-1,4-diene?
The canonical SMILES for 6-iodohexa-1,4-diene is C=CCC=CCI.
What is the InChIKey of 6-iodohexa-1,4-diene?
The InChIKey is SKPSEZLEIPAOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9I/c1-2-3-4-5-6-7/h2,4-5H,1,3,6H2.
What are the key properties of 6-iodohexa-1,4-diene?
6-iodohexa-1,4-diene has a molecular weight of 208.04 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodohexa-1,4-diene is sourced from PubChem (CID 73158271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).