(3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene

C11H17I — CID 89170112

IUPAC(3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene
SMILESC=C(C)/C(C)=C\C(C)=C(\C)CI
InChIInChI=1S/C11H17I/c1-8(2)9(3)6-10(4)11(5)7-12/h6H,1,7H2,2-5H3/b9-6-,11-10-
InChIKeyBYCAJBVGRURZIT-ONEMGQKZSA-N
MW276.16 g/mol
LogP4.28
Rot. Bonds3

About (3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene

(3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene (PubChem CID 89170112) has the molecular formula C11H17I and a molecular weight of 276.16 g/mol. Its IUPAC name is (3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene
PubChem CID89170112
Molecular FormulaC11H17I
Molecular Weight276.16 g/mol
Exact Mass276.04
IUPAC Name(3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene
SMILESC=C(C)/C(C)=C\C(C)=C(\C)CI
InChIInChI=1S/C11H17I/c1-8(2)9(3)6-10(4)11(5)7-12/h6H,1,7H2,2-5H3/b9-6-,11-10-
InChIKeyBYCAJBVGRURZIT-ONEMGQKZSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 54.28
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene (CID 89170112) is (3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene is C=C(C)/C(C)=C\C(C)=C(\C)CI.
What is the InChIKey of (3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene?
The InChIKey is BYCAJBVGRURZIT-ONEMGQKZSA-N. The full InChI is InChI=1S/C11H17I/c1-8(2)9(3)6-10(4)11(5)7-12/h6H,1,7H2,2-5H3/b9-6-,11-10-.
What are the key properties of (3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene?
(3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene has a molecular weight of 276.16 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-iodo-2,3,5,6-tetramethylhepta-1,3,5-triene is sourced from PubChem (CID 89170112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).