[(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane

C14H25ISi — CID 102388777

IUPAC[(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane
SMILESCCCC/C(I)=C(\C#C[Si](C)(C)C)CCC
InChIInChI=1S/C14H25ISi/c1-6-8-10-14(15)13(9-7-2)11-12-16(3,4)5/h6-10H2,1-5H3/b14-13+
InChIKeyIWSMJQNGTPENHW-BUHFOSPRSA-N
MW348.34 g/mol
LogP5.55
Rot. Bonds5

About [(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane

[(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane (PubChem CID 102388777) has the molecular formula C14H25ISi and a molecular weight of 348.34 g/mol. Its IUPAC name is [(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane
PubChem CID102388777
Molecular FormulaC14H25ISi
Molecular Weight348.34 g/mol
Exact Mass348.08
IUPAC Name[(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane
SMILESCCCC/C(I)=C(\C#C[Si](C)(C)C)CCC
InChIInChI=1S/C14H25ISi/c1-6-8-10-14(15)13(9-7-2)11-12-16(3,4)5/h6-10H2,1-5H3/b14-13+
InChIKeyIWSMJQNGTPENHW-BUHFOSPRSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.34
LogP ≤ 55.55
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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Related Compounds

[(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
[(Z)-1-iodo-2-(2-trimethylsilylethynyl)pent-1-enyl]-trimethylsilane
CID 11772912
[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12052001
Trimethyl-(2-prop-1-ynylcyclopenten-1-yl)silane
CID 91164749
[(Z)-4-iodo-3-propylhept-3-enyl]-trimethylsilane
CID 134902255
[(E)-4-iodo-3-propylhept-3-en-1-ynyl]-trimethylsilane
CID 11473089
(4-Iodo-3-propylhept-3-en-1-yn-1-yl)(trimethyl)silane
CID 71366827
[(Z)-4-butyl-5-iodonon-4-en-1-ynyl]-trimethylsilane
CID 11749212
{1-Iodo-2-[(trimethylsilyl)ethynyl]pent-1-en-1-yl}(trimethyl)silane
CID 71366828

Frequently Asked Questions

What is the IUPAC name of [(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane (CID 102388777) is [(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane is CCCC/C(I)=C(\C#C[Si](C)(C)C)CCC.
What is the InChIKey of [(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane?
The InChIKey is IWSMJQNGTPENHW-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H25ISi/c1-6-8-10-14(15)13(9-7-2)11-12-16(3,4)5/h6-10H2,1-5H3/b14-13+.
What are the key properties of [(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane?
[(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane has a molecular weight of 348.34 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-iodo-3-propyloct-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 102388777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).