(2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene

C8H12I2 — CID 11013883

IUPAC(2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene
SMILESC/C(I)=C(C)/C(C)=C(/C)I
InChIInChI=1S/C8H12I2/c1-5(7(3)9)6(2)8(4)10/h1-4H3/b7-5-,8-6-
InChIKeyUNBPDXNGISPTCG-SFECMWDFSA-N
MW361.99 g/mol
LogP4.44
Rot. Bonds1

About (2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene

(2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene (PubChem CID 11013883) has the molecular formula C8H12I2 and a molecular weight of 361.99 g/mol. Its IUPAC name is (2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene
PubChem CID11013883
Molecular FormulaC8H12I2
Molecular Weight361.99 g/mol
Exact Mass361.90
IUPAC Name(2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene
SMILESC/C(I)=C(C)/C(C)=C(/C)I
InChIInChI=1S/C8H12I2/c1-5(7(3)9)6(2)8(4)10/h1-4H3/b7-5-,8-6-
InChIKeyUNBPDXNGISPTCG-SFECMWDFSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.99
LogP ≤ 54.44
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

4,5-Diethyl-3,6-diiodoocta-3,5-diene
CID 71339615
5-Iodo-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 21630359
(3Z,5Z)-4,5-diethyl-3,6-diiodoocta-3,5-diene
CID 11112540
(3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene
CID 12981007
4-Iodo-1,2-dimethylbenzene-5-ide;rutherfordium
CID 134861003
3-Ethyl-1,4-diiodohex-3-ene
CID 74078641
(2E,4E,6E)-1,9-diiodo-3,5,7-trimethylnona-2,4,6-triene
CID 88553401
(3E)-4-iodo-2,3-dimethylpenta-1,3-diene
CID 88557354
(3E,5Z)-4-iodo-2,6-dimethylocta-1,3,5-triene
CID 89138232
(3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene
CID 89170152
(3Z,5E)-5-iodo-3-methylocta-3,5-diene
CID 89176925
(2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene
CID 89246005

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene?
The IUPAC name of (2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene (CID 11013883) is (2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene.
What is the SMILES notation for (2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene?
The canonical SMILES for (2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene is C/C(I)=C(C)/C(C)=C(/C)I.
What is the InChIKey of (2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene?
The InChIKey is UNBPDXNGISPTCG-SFECMWDFSA-N. The full InChI is InChI=1S/C8H12I2/c1-5(7(3)9)6(2)8(4)10/h1-4H3/b7-5-,8-6-.
What are the key properties of (2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene?
(2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene has a molecular weight of 361.99 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene is sourced from PubChem (CID 11013883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).