[(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane

C12H21ISi — CID 11255656

IUPAC[(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane
SMILESC/C(=C\CCC#C[Si](C)(C)C)CCI
InChIInChI=1S/C12H21ISi/c1-12(9-10-13)8-6-5-7-11-14(2,3)4/h8H,5-6,9-10H2,1-4H3/b12-8+
InChIKeyCHPBVLAZNBAHPJ-XYOKQWHBSA-N
MW320.29 g/mol
LogP4.42
Rot. Bonds4

About [(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane

[(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane (PubChem CID 11255656) has the molecular formula C12H21ISi and a molecular weight of 320.29 g/mol. Its IUPAC name is [(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane
PubChem CID11255656
Molecular FormulaC12H21ISi
Molecular Weight320.29 g/mol
Exact Mass320.05
IUPAC Name[(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane
SMILESC/C(=C\CCC#C[Si](C)(C)C)CCI
InChIInChI=1S/C12H21ISi/c1-12(9-10-13)8-6-5-7-11-14(2,3)4/h8H,5-6,9-10H2,1-4H3/b12-8+
InChIKeyCHPBVLAZNBAHPJ-XYOKQWHBSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 54.42
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
trimethyl-[(E)-4-methylhex-3-en-1-ynyl]silane
CID 134901516
[(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
[(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
[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12052001
trimethyl-[(E)-4-prop-2-enylnon-4-en-1-ynyl]silane
CID 13706760
trimethyl-[(Z)-6-methyloct-5-en-1-ynyl]silane
CID 44238477
trimethyl-[(E)-3-propylhept-3-en-1-ynyl]silane
CID 102251063

Frequently Asked Questions

What is the IUPAC name of [(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane (CID 11255656) is [(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane is C/C(=C\CCC#C[Si](C)(C)C)CCI.
What is the InChIKey of [(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane?
The InChIKey is CHPBVLAZNBAHPJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H21ISi/c1-12(9-10-13)8-6-5-7-11-14(2,3)4/h8H,5-6,9-10H2,1-4H3/b12-8+.
What are the key properties of [(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane?
[(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane has a molecular weight of 320.29 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-iodo-6-methyloct-5-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11255656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).