[(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane

C16H30Si — CID 11265228

IUPAC[(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane
SMILES[2H]/C(CCCC)=C(\CC#C[Si](C)(C)C)CCCC
InChIInChI=1S/C16H30Si/c1-6-8-10-13-16(12-9-7-2)14-11-15-17(3,4)5/h13H,6-10,12,14H2,1-5H3/b16-13+/i13D
InChIKeyNXXFJZWCLKGYRZ-SSEUTLCASA-N
MW251.51 g/mol
LogP5.56
Rot. Bonds7

About [(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane

[(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane (PubChem CID 11265228) has the molecular formula C16H30Si and a molecular weight of 251.51 g/mol. Its IUPAC name is [(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane
PubChem CID11265228
Molecular FormulaC16H30Si
Molecular Weight251.51 g/mol
Exact Mass251.22
IUPAC Name[(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane
SMILES[2H]/C(CCCC)=C(\CC#C[Si](C)(C)C)CCCC
InChIInChI=1S/C16H30Si/c1-6-8-10-13-16(12-9-7-2)14-11-15-17(3,4)5/h13H,6-10,12,14H2,1-5H3/b16-13+/i13D
InChIKeyNXXFJZWCLKGYRZ-SSEUTLCASA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.51
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-Cyclohexen-1-ylethynyl)trimethylsilane
CID 11816203
1-[2-(Trimethylsilyl)ethynyl]cyclopentene
CID 12778987
Silane, (1-cyclohexen-1-ylmethyl)trimethyl-
CID 10964921
2-(Cyclohexen-1-yl)ethynyl-triethyl-silane
CID 134948291
[5-(Cyclohexen-1-yl)-3,3-difluoropenta-1,4-diynyl]-tri(propan-2-yl)silane
CID 177849926
[(4E)-5,9-dimethyldeca-4,8-dien-1-ynyl]-trimethylsilane
CID 10354026
2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
2-(Cyclopenten-1-yl)ethyl-trimethylsilane
CID 139263552
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane
CID 10768442
(3-Trimethylsilanyl-prop-2-ynylidene)-cyclohexane
CID 12750871
Silane, trimethyl(6-methyl-5-hepten-1-ynyl)-
CID 550064

Frequently Asked Questions

What is the IUPAC name of [(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane (CID 11265228) is [(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane is [2H]/C(CCCC)=C(\CC#C[Si](C)(C)C)CCCC.
What is the InChIKey of [(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane?
The InChIKey is NXXFJZWCLKGYRZ-SSEUTLCASA-N. The full InChI is InChI=1S/C16H30Si/c1-6-8-10-13-16(12-9-7-2)14-11-15-17(3,4)5/h13H,6-10,12,14H2,1-5H3/b16-13+/i13D.
What are the key properties of [(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane?
[(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane has a molecular weight of 251.51 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11265228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).