(3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene

C12H17I — CID 89135344

IUPAC(3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene
SMILESC=C(I)/C=C/C=C/CC/C=C\CC
InChIInChI=1S/C12H17I/c1-3-4-5-6-7-8-9-10-11-12(2)13/h4-5,8-11H,2-3,6-7H2,1H3/b5-4-,9-8+,11-10+
InChIKeyZBDSZGUERJGLOM-QYHQRLDKSA-N
MW288.17 g/mol
LogP4.79
Rot. Bonds6

About (3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene

(3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene (PubChem CID 89135344) has the molecular formula C12H17I and a molecular weight of 288.17 g/mol. Its IUPAC name is (3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene.

Molecular Properties

Compound Name(3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene
PubChem CID89135344
Molecular FormulaC12H17I
Molecular Weight288.17 g/mol
Exact Mass288.04
IUPAC Name(3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene
SMILESC=C(I)/C=C/C=C/CC/C=C\CC
InChIInChI=1S/C12H17I/c1-3-4-5-6-7-8-9-10-11-12(2)13/h4-5,8-11H,2-3,6-7H2,1H3/b5-4-,9-8+,11-10+
InChIKeyZBDSZGUERJGLOM-QYHQRLDKSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene?
The IUPAC name of (3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene (CID 89135344) is (3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene.
What is the SMILES notation for (3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene?
The canonical SMILES for (3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene is C=C(I)/C=C/C=C/CC/C=C\CC.
What is the InChIKey of (3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene?
The InChIKey is ZBDSZGUERJGLOM-QYHQRLDKSA-N. The full InChI is InChI=1S/C12H17I/c1-3-4-5-6-7-8-9-10-11-12(2)13/h4-5,8-11H,2-3,6-7H2,1H3/b5-4-,9-8+,11-10+.
What are the key properties of (3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene?
(3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene has a molecular weight of 288.17 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene is sourced from PubChem (CID 89135344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).