(3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene

C14H24I2 — CID 12981007

IUPAC(3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene
SMILESCC(/C(C)=C(\I)C(C)(C)C)=C(/I)C(C)(C)C
InChIInChI=1S/C14H24I2/c1-9(11(15)13(3,4)5)10(2)12(16)14(6,7)8/h1-8H3/b11-9-,12-10-
InChIKeyCMIZJSPDRJVIMR-HWAYABPNSA-N
MW446.15 g/mol
LogP6.50
Rot. Bonds1

About (3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene

(3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene (PubChem CID 12981007) has the molecular formula C14H24I2 and a molecular weight of 446.15 g/mol. Its IUPAC name is (3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene
PubChem CID12981007
Molecular FormulaC14H24I2
Molecular Weight446.15 g/mol
Exact Mass446.00
IUPAC Name(3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene
SMILESCC(/C(C)=C(\I)C(C)(C)C)=C(/I)C(C)(C)C
InChIInChI=1S/C14H24I2/c1-9(11(15)13(3,4)5)10(2)12(16)14(6,7)8/h1-8H3/b11-9-,12-10-
InChIKeyCMIZJSPDRJVIMR-HWAYABPNSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.15
LogP ≤ 56.50
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
(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
(2E,4E,6E)-1,9-diiodo-3,5,7-trimethylnona-2,4,6-triene
CID 88553401
2,3-Dimethylpent-2-ene;1,1,1-triiodoethane
CID 91544853
2,3-Bis(iodomethyl)-4-methylpenta-1,3-diene
CID 155659813
Diiodovanadium;2,3,4,5-tetramethylhexa-2,4-diene
CID 160905465
CID 177149089
CID 177149089
(2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene
CID 11086624
(2Z,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene
CID 100957281
(3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene
CID 121014162

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene?
The IUPAC name of (3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene (CID 12981007) is (3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene.
What is the SMILES notation for (3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene?
The canonical SMILES for (3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene is CC(/C(C)=C(\I)C(C)(C)C)=C(/I)C(C)(C)C.
What is the InChIKey of (3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene?
The InChIKey is CMIZJSPDRJVIMR-HWAYABPNSA-N. The full InChI is InChI=1S/C14H24I2/c1-9(11(15)13(3,4)5)10(2)12(16)14(6,7)8/h1-8H3/b11-9-,12-10-.
What are the key properties of (3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene?
(3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene has a molecular weight of 446.15 g/mol, XLogP of 6.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene is sourced from PubChem (CID 12981007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).