(4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane

C16H29ISi — CID 71415258

IUPAC(4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane
SMILESCCCCC(I)=C(CC#C[Si](C)(C)C)CCCC
InChIInChI=1S/C16H29ISi/c1-6-8-11-15(16(17)13-9-7-2)12-10-14-18(3,4)5/h6-9,11-13H2,1-5H3
InChIKeyIZSYVQPCDNGZDO-UHFFFAOYSA-N
MW376.40 g/mol
LogP6.33
Rot. Bonds7

About (4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane

(4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane (PubChem CID 71415258) has the molecular formula C16H29ISi and a molecular weight of 376.40 g/mol. Its IUPAC name is (4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane
PubChem CID71415258
Molecular FormulaC16H29ISi
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC Name(4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane
SMILESCCCCC(I)=C(CC#C[Si](C)(C)C)CCCC
InChIInChI=1S/C16H29ISi/c1-6-8-11-15(16(17)13-9-7-2)12-10-14-18(3,4)5/h6-9,11-13H2,1-5H3
InChIKeyIZSYVQPCDNGZDO-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.40
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane?
The IUPAC name of (4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane (CID 71415258) is (4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane.
What is the SMILES notation for (4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane?
The canonical SMILES for (4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane is CCCCC(I)=C(CC#C[Si](C)(C)C)CCCC.
What is the InChIKey of (4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane?
The InChIKey is IZSYVQPCDNGZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ISi/c1-6-8-11-15(16(17)13-9-7-2)12-10-14-18(3,4)5/h6-9,11-13H2,1-5H3.
What are the key properties of (4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane?
(4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane has a molecular weight of 376.40 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-5-iodonon-4-en-1-ynyl)-trimethylsilane is sourced from PubChem (CID 71415258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).