(1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene

C10H15I — CID 11118859

IUPAC(1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene
SMILESCC(C)(C)/C=C/C=C/C=C/I
InChIInChI=1S/C10H15I/c1-10(2,3)8-6-4-5-7-9-11/h4-9H,1-3H3/b5-4+,8-6+,9-7+
InChIKeyZKDJKIWHNNFXMQ-WUJFNTSISA-N
MW262.13 g/mol
LogP4.09
Rot. Bonds2

About (1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene

(1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene (PubChem CID 11118859) has the molecular formula C10H15I and a molecular weight of 262.13 g/mol. Its IUPAC name is (1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene
PubChem CID11118859
Molecular FormulaC10H15I
Molecular Weight262.13 g/mol
Exact Mass262.02
IUPAC Name(1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene
SMILESCC(C)(C)/C=C/C=C/C=C/I
InChIInChI=1S/C10H15I/c1-10(2,3)8-6-4-5-7-9-11/h4-9H,1-3H3/b5-4+,8-6+,9-7+
InChIKeyZKDJKIWHNNFXMQ-WUJFNTSISA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene?
The IUPAC name of (1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene (CID 11118859) is (1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene.
What is the SMILES notation for (1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene?
The canonical SMILES for (1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene is CC(C)(C)/C=C/C=C/C=C/I.
What is the InChIKey of (1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene?
The InChIKey is ZKDJKIWHNNFXMQ-WUJFNTSISA-N. The full InChI is InChI=1S/C10H15I/c1-10(2,3)8-6-4-5-7-9-11/h4-9H,1-3H3/b5-4+,8-6+,9-7+.
What are the key properties of (1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene?
(1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene has a molecular weight of 262.13 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene is sourced from PubChem (CID 11118859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).