tert-butyl-diphenyl-tetradec-8-ynoxysilane

C30H44OSi — CID 90132306

IUPACtert-butyl-diphenyl-tetradec-8-ynoxysilane
SMILESCCCCCC#CCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H44OSi/c1-5-6-7-8-9-10-11-12-13-14-15-22-27-31-32(30(2,3)4,28-23-18-16-19-24-28)29-25-20-17-21-26-29/h16-21,23-26H,5-8,11-15,22,27H2,1-4H3
InChIKeyYABGJOLDEMDEBY-UHFFFAOYSA-N
MW448.77 g/mol
LogP7.49
Rot. Bonds13

About tert-butyl-diphenyl-tetradec-8-ynoxysilane

tert-butyl-diphenyl-tetradec-8-ynoxysilane (PubChem CID 90132306) has the molecular formula C30H44OSi and a molecular weight of 448.77 g/mol. Its IUPAC name is tert-butyl-diphenyl-tetradec-8-ynoxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-tetradec-8-ynoxysilane
PubChem CID90132306
Molecular FormulaC30H44OSi
Molecular Weight448.77 g/mol
Exact Mass448.32
IUPAC Nametert-butyl-diphenyl-tetradec-8-ynoxysilane
SMILESCCCCCC#CCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H44OSi/c1-5-6-7-8-9-10-11-12-13-14-15-22-27-31-32(30(2,3)4,28-23-18-16-19-24-28)29-25-20-17-21-26-29/h16-21,23-26H,5-8,11-15,22,27H2,1-4H3
InChIKeyYABGJOLDEMDEBY-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.77
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;butane;16-[tert-butyl(diphenyl)silyl]oxyhexadec-2-yn-1-ol;tert-butyl-pentadec-14-ynoxy-diphenylsilane
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tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
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tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
CID 10412453
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
tert-butyl-(10-iododecoxy)-diphenylsilane
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8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-tetradec-8-ynoxysilane?
The IUPAC name of tert-butyl-diphenyl-tetradec-8-ynoxysilane (CID 90132306) is tert-butyl-diphenyl-tetradec-8-ynoxysilane.
What is the SMILES notation for tert-butyl-diphenyl-tetradec-8-ynoxysilane?
The canonical SMILES for tert-butyl-diphenyl-tetradec-8-ynoxysilane is CCCCCC#CCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-tetradec-8-ynoxysilane?
The InChIKey is YABGJOLDEMDEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44OSi/c1-5-6-7-8-9-10-11-12-13-14-15-22-27-31-32(30(2,3)4,28-23-18-16-19-24-28)29-25-20-17-21-26-29/h16-21,23-26H,5-8,11-15,22,27H2,1-4H3.
What are the key properties of tert-butyl-diphenyl-tetradec-8-ynoxysilane?
tert-butyl-diphenyl-tetradec-8-ynoxysilane has a molecular weight of 448.77 g/mol, XLogP of 7.49, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-tetradec-8-ynoxysilane is sourced from PubChem (CID 90132306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).