4,5-diethyl-3,6-diiodoocta-3,5-diene

C12H20I2 — CID 71339615

IUPAC4,5-diethyl-3,6-diiodoocta-3,5-diene
SMILESCCC(I)=C(CC)C(CC)=C(I)CC
InChIInChI=1S/C12H20I2/c1-5-9(11(13)7-3)10(6-2)12(14)8-4/h5-8H2,1-4H3
InChIKeyOQMGWWJOZTYWQP-UHFFFAOYSA-N
MW418.10 g/mol
LogP6.00
Rot. Bonds5

About 4,5-diethyl-3,6-diiodoocta-3,5-diene

4,5-diethyl-3,6-diiodoocta-3,5-diene (PubChem CID 71339615) has the molecular formula C12H20I2 and a molecular weight of 418.10 g/mol. Its IUPAC name is 4,5-diethyl-3,6-diiodoocta-3,5-diene.

Molecular Properties

Compound Name4,5-diethyl-3,6-diiodoocta-3,5-diene
PubChem CID71339615
Molecular FormulaC12H20I2
Molecular Weight418.10 g/mol
Exact Mass417.97
IUPAC Name4,5-diethyl-3,6-diiodoocta-3,5-diene
SMILESCCC(I)=C(CC)C(CC)=C(I)CC
InChIInChI=1S/C12H20I2/c1-5-9(11(13)7-3)10(6-2)12(14)8-4/h5-8H2,1-4H3
InChIKeyOQMGWWJOZTYWQP-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.10
LogP ≤ 56.00
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

(1,2-Diiodo-3-methylbut-2-enylidene)cyclohexane
CID 13234787
4-Iodo-5-(2-iodoethyl)oct-4-ene
CID 73118559
3,4-Diethyl-2,5-dimethylhexa-2,4-diene
CID 15696318
5-Iodo-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 21630359
(5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene
CID 10402756
(Z)-5-iodo-6-(2-iodoethyl)dec-5-ene
CID 10598197
(2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene
CID 11013883
(3Z,5Z)-4,5-diethyl-3,6-diiodoocta-3,5-diene
CID 11112540
(1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane
CID 11248441
(1Z,2Z)-1,2-bis(1-iodobutylidene)cyclohexane
CID 11270713
(4Z,6Z)-4,7-diiodo-5,6-dipropyldeca-4,6-diene
CID 11488324
(5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene
CID 11635110

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3,6-diiodoocta-3,5-diene?
The IUPAC name of 4,5-diethyl-3,6-diiodoocta-3,5-diene (CID 71339615) is 4,5-diethyl-3,6-diiodoocta-3,5-diene.
What is the SMILES notation for 4,5-diethyl-3,6-diiodoocta-3,5-diene?
The canonical SMILES for 4,5-diethyl-3,6-diiodoocta-3,5-diene is CCC(I)=C(CC)C(CC)=C(I)CC.
What is the InChIKey of 4,5-diethyl-3,6-diiodoocta-3,5-diene?
The InChIKey is OQMGWWJOZTYWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20I2/c1-5-9(11(13)7-3)10(6-2)12(14)8-4/h5-8H2,1-4H3.
What are the key properties of 4,5-diethyl-3,6-diiodoocta-3,5-diene?
4,5-diethyl-3,6-diiodoocta-3,5-diene has a molecular weight of 418.10 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3,6-diiodoocta-3,5-diene is sourced from PubChem (CID 71339615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).