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

C12H20I2 — CID 121014162

IUPAC(3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene
SMILESCC(C)(C)/C(I)=C/C=C(\I)C(C)(C)C
InChIInChI=1S/C12H20I2/c1-11(2,3)9(13)7-8-10(14)12(4,5)6/h7-8H,1-6H3/b9-7-,10-8-
InChIKeyLWYFMYKWCSUFOP-XOHWUJONSA-N
MW418.10 g/mol
LogP5.72
Rot. Bonds1

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

(3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene (PubChem CID 121014162) has the molecular formula C12H20I2 and a molecular weight of 418.10 g/mol. Its IUPAC name is (3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene
PubChem CID121014162
Molecular FormulaC12H20I2
Molecular Weight418.10 g/mol
Exact Mass417.97
IUPAC Name(3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene
SMILESCC(C)(C)/C(I)=C/C=C(\I)C(C)(C)C
InChIInChI=1S/C12H20I2/c1-11(2,3)9(13)7-8-10(14)12(4,5)6/h7-8H,1-6H3/b9-7-,10-8-
InChIKeyLWYFMYKWCSUFOP-XOHWUJONSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.10
LogP ≤ 55.72
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

(3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene
CID 12981007
3-Iodo-5,5-dimethyl-1,3-hexadiene
CID 129658912
(2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene
CID 135037814
(1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene
CID 11118859
(2E,4E,6E)-1,9-diiodo-3,5,7-trimethylnona-2,4,6-triene
CID 88553401
(3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene
CID 88945703
(3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene
CID 89170112
(2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene
CID 89170172
(3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene
CID 129101543
(Z)-3-iodo-2,2,5-trimethylhex-3-ene
CID 130380912
CID 142812171
CID 142812171
ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene
CID 145238118

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene?
The IUPAC name of (3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene (CID 121014162) is (3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene.
What is the SMILES notation for (3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene?
The canonical SMILES for (3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene is CC(C)(C)/C(I)=C/C=C(\I)C(C)(C)C.
What is the InChIKey of (3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene?
The InChIKey is LWYFMYKWCSUFOP-XOHWUJONSA-N. The full InChI is InChI=1S/C12H20I2/c1-11(2,3)9(13)7-8-10(14)12(4,5)6/h7-8H,1-6H3/b9-7-,10-8-.
What are the key properties of (3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene?
(3Z,5Z)-3,6-diiodo-2,2,7,7-tetramethylocta-3,5-diene has a molecular weight of 418.10 g/mol, XLogP of 5.72, 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-2,2,7,7-tetramethylocta-3,5-diene is sourced from PubChem (CID 121014162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).