[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane

C17H29ISi — CID 12052001

IUPAC[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
SMILESC/C(=C\CC/C(C)=C/CCC#C[Si](C)(C)C)CCI
InChIInChI=1S/C17H29ISi/c1-16(11-9-12-17(2)13-14-18)10-7-6-8-15-19(3,4)5/h10,12H,6-7,9,11,13-14H2,1-5H3/b16-10+,17-12+
InChIKeyTZSUJHPZJRJUAQ-JTCWOHKRSA-N
MW388.41 g/mol
LogP6.15
Rot. Bonds7

About [(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane

[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane (PubChem CID 12052001) has the molecular formula C17H29ISi and a molecular weight of 388.41 g/mol. Its IUPAC name is [(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
PubChem CID12052001
Molecular FormulaC17H29ISi
Molecular Weight388.41 g/mol
Exact Mass388.11
IUPAC Name[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
SMILESC/C(=C\CC/C(C)=C/CCC#C[Si](C)(C)C)CCI
InChIInChI=1S/C17H29ISi/c1-16(11-9-12-17(2)13-14-18)10-7-6-8-15-19(3,4)5/h10,12H,6-7,9,11,13-14H2,1-5H3/b16-10+,17-12+
InChIKeyTZSUJHPZJRJUAQ-JTCWOHKRSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.41
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(4E)-5,9-dimethyldeca-4,8-dien-1-ynyl]-trimethylsilane
CID 10354026
2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
Silane, trimethyl(6-methyl-5-hepten-1-ynyl)-
CID 550064
Trimethyl-(7-methyl-3-methylideneoct-6-en-1-ynyl)silane
CID 10878326
trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
CID 11015863
trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane
CID 11216306
[(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane
CID 11255656
[(Z)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane
CID 11324656
[(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane
CID 11385539
[(5Z,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
CID 11749556
trimethyl-[(E)-4-prop-2-enylnon-4-en-1-ynyl]silane
CID 13706760

Frequently Asked Questions

What is the IUPAC name of [(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane (CID 12052001) is [(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane is C/C(=C\CC/C(C)=C/CCC#C[Si](C)(C)C)CCI.
What is the InChIKey of [(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane?
The InChIKey is TZSUJHPZJRJUAQ-JTCWOHKRSA-N. The full InChI is InChI=1S/C17H29ISi/c1-16(11-9-12-17(2)13-14-18)10-7-6-8-15-19(3,4)5/h10,12H,6-7,9,11,13-14H2,1-5H3/b16-10+,17-12+.
What are the key properties of [(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane?
[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane has a molecular weight of 388.41 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 12052001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).