[(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane

C22H37ISi — CID 11385539

IUPAC[(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C)CCI
InChIInChI=1S/C22H37ISi/c1-20(12-8-7-9-19-24(4,5)6)13-10-14-21(2)15-11-16-22(3)17-18-23/h12,14,16H,7-8,10-11,13,15,17-18H2,1-6H3/b20-12+,21-14+,22-16+
InChIKeyOIAGEKSSWMIMCF-VOLDSXALSA-N
MW456.53 g/mol
LogP7.87
Rot. Bonds10

About [(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane

[(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane (PubChem CID 11385539) has the molecular formula C22H37ISi and a molecular weight of 456.53 g/mol. Its IUPAC name is [(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane
PubChem CID11385539
Molecular FormulaC22H37ISi
Molecular Weight456.53 g/mol
Exact Mass456.17
IUPAC Name[(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C)CCI
InChIInChI=1S/C22H37ISi/c1-20(12-8-7-9-19-24(4,5)6)13-10-14-21(2)15-11-16-22(3)17-18-23/h12,14,16H,7-8,10-11,13,15,17-18H2,1-6H3/b20-12+,21-14+,22-16+
InChIKeyOIAGEKSSWMIMCF-VOLDSXALSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 57.87
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

[(2Z,6Z,10E)-7-fluoro-13-iodo-6,11-dimethyltrideca-2,6,10-trienyl]-trimethylsilane
CID 10645896
[(4E)-5,9-dimethyldeca-4,8-dien-1-ynyl]-trimethylsilane
CID 10354026
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
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
[(5Z,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
CID 11749556
[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12052001
trimethyl-[(E)-3-propylhept-3-en-1-ynyl]silane
CID 102251063
tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane
CID 102296161

Frequently Asked Questions

What is the IUPAC name of [(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane?
The IUPAC name of [(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane (CID 11385539) is [(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane is C/C(=C\CC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C)CCI.
What is the InChIKey of [(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane?
The InChIKey is OIAGEKSSWMIMCF-VOLDSXALSA-N. The full InChI is InChI=1S/C22H37ISi/c1-20(12-8-7-9-19-24(4,5)6)13-10-14-21(2)15-11-16-22(3)17-18-23/h12,14,16H,7-8,10-11,13,15,17-18H2,1-6H3/b20-12+,21-14+,22-16+.
What are the key properties of [(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane?
[(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane has a molecular weight of 456.53 g/mol, XLogP of 7.87, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11385539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).