(3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene

C15H23I — CID 129101543

IUPAC(3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene
SMILESCC(C)(C)/C=C/C=C/C=C/C=C/C(C)(C)I
InChIInChI=1S/C15H23I/c1-14(2,3)12-10-8-6-7-9-11-13-15(4,5)16/h6-13H,1-5H3/b8-6+,9-7+,12-10+,13-11+
InChIKeyQBVNTCPLKWEENV-LZBUJHLNSA-N
MW330.25 g/mol
LogP5.47
Rot. Bonds4

About (3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene

(3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene (PubChem CID 129101543) has the molecular formula C15H23I and a molecular weight of 330.25 g/mol. Its IUPAC name is (3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene.

Molecular Properties

Compound Name(3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene
PubChem CID129101543
Molecular FormulaC15H23I
Molecular Weight330.25 g/mol
Exact Mass330.08
IUPAC Name(3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene
SMILESCC(C)(C)/C=C/C=C/C=C/C=C/C(C)(C)I
InChIInChI=1S/C15H23I/c1-14(2,3)12-10-8-6-7-9-11-13-15(4,5)16/h6-13H,1-5H3/b8-6+,9-7+,12-10+,13-11+
InChIKeyQBVNTCPLKWEENV-LZBUJHLNSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.25
LogP ≤ 55.47
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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Related Compounds

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(1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene
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(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal
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(3E,5E)-2,2,7-trimethylocta-3,5-diene
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(4E,6E)-8,8-dimethylnona-4,6-dienal
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2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
CID 11097662
CID 11097662
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ethene;bis(2,2,5,5-tetramethylhex-3-ene)
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ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine
CID 145365374

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene?
The IUPAC name of (3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene (CID 129101543) is (3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene.
What is the SMILES notation for (3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene?
The canonical SMILES for (3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene is CC(C)(C)/C=C/C=C/C=C/C=C/C(C)(C)I.
What is the InChIKey of (3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene?
The InChIKey is QBVNTCPLKWEENV-LZBUJHLNSA-N. The full InChI is InChI=1S/C15H23I/c1-14(2,3)12-10-8-6-7-9-11-13-15(4,5)16/h6-13H,1-5H3/b8-6+,9-7+,12-10+,13-11+.
What are the key properties of (3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene?
(3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene has a molecular weight of 330.25 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene is sourced from PubChem (CID 129101543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).