1-iodo-3,7,11-trimethyldodeca-2,6,10-triene

C15H25I — CID 71322111

IUPAC1-iodo-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCI
InChIInChI=1S/C15H25I/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3
InChIKeySOTNRCBDDRIJAF-UHFFFAOYSA-N
MW332.27 g/mol
LogP5.84
Rot. Bonds7

About 1-iodo-3,7,11-trimethyldodeca-2,6,10-triene

1-iodo-3,7,11-trimethyldodeca-2,6,10-triene (PubChem CID 71322111) has the molecular formula C15H25I and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-iodo-3,7,11-trimethyldodeca-2,6,10-triene.

Molecular Properties

Compound Name1-iodo-3,7,11-trimethyldodeca-2,6,10-triene
PubChem CID71322111
Molecular FormulaC15H25I
Molecular Weight332.27 g/mol
Exact Mass332.10
IUPAC Name1-iodo-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCI
InChIInChI=1S/C15H25I/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3
InChIKeySOTNRCBDDRIJAF-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.27
LogP ≤ 55.84
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3,7,11-trimethyldodeca-2,6,10-triene?
The IUPAC name of 1-iodo-3,7,11-trimethyldodeca-2,6,10-triene (CID 71322111) is 1-iodo-3,7,11-trimethyldodeca-2,6,10-triene.
What is the SMILES notation for 1-iodo-3,7,11-trimethyldodeca-2,6,10-triene?
The canonical SMILES for 1-iodo-3,7,11-trimethyldodeca-2,6,10-triene is CC(C)=CCCC(C)=CCCC(C)=CCI.
What is the InChIKey of 1-iodo-3,7,11-trimethyldodeca-2,6,10-triene?
The InChIKey is SOTNRCBDDRIJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25I/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3.
What are the key properties of 1-iodo-3,7,11-trimethyldodeca-2,6,10-triene?
1-iodo-3,7,11-trimethyldodeca-2,6,10-triene has a molecular weight of 332.27 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3,7,11-trimethyldodeca-2,6,10-triene is sourced from PubChem (CID 71322111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).