tris(2-methylpropyl)-tridec-2-ynoxysilane

C25H50OSi — CID 531267

IUPACtris(2-methylpropyl)-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C25H50OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-26-27(20-23(2)3,21-24(4)5)22-25(6)7/h23-25H,8-16,19-22H2,1-7H3
InChIKeySARGEVNXZPJCMT-UHFFFAOYSA-N
MW394.76 g/mol
LogP8.45
Rot. Bonds16

About tris(2-methylpropyl)-tridec-2-ynoxysilane

tris(2-methylpropyl)-tridec-2-ynoxysilane (PubChem CID 531267) has the molecular formula C25H50OSi and a molecular weight of 394.76 g/mol. Its IUPAC name is tris(2-methylpropyl)-tridec-2-ynoxysilane.

Molecular Properties

Compound Nametris(2-methylpropyl)-tridec-2-ynoxysilane
PubChem CID531267
Molecular FormulaC25H50OSi
Molecular Weight394.76 g/mol
Exact Mass394.36
IUPAC Nametris(2-methylpropyl)-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C25H50OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-26-27(20-23(2)3,21-24(4)5)22-25(6)7/h23-25H,8-16,19-22H2,1-7H3
InChIKeySARGEVNXZPJCMT-UHFFFAOYSA-N
XLogP8.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.76
LogP ≤ 58.45
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

But-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane
CID 23777790
1-Trimethylsilyloxytridec-2-yne
CID 531274
1-Dimethylisopropylsilyloxytridec-2-yne
CID 531293
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
1-Dimethyloctylsilyloxytridec-2-yne
CID 531301
1-Tripropylsilyloxytridec-2-yne
CID 531311
1-Trihexylsilyloxytridec-2-yne
CID 531322
1-Tributylsilyloxytridec-2-yne
CID 531341
2-Dimethyldodecylsilyloxybut-3-yne
CID 531343
4-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
1-Dimethyldodecylsilyloxytridec-2-yne
CID 531351
1-Cyclohexyldimethylsilyloxytridec-2-yne
CID 531368

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)-tridec-2-ynoxysilane?
The IUPAC name of tris(2-methylpropyl)-tridec-2-ynoxysilane (CID 531267) is tris(2-methylpropyl)-tridec-2-ynoxysilane.
What is the SMILES notation for tris(2-methylpropyl)-tridec-2-ynoxysilane?
The canonical SMILES for tris(2-methylpropyl)-tridec-2-ynoxysilane is CCCCCCCCCCC#CCO[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of tris(2-methylpropyl)-tridec-2-ynoxysilane?
The InChIKey is SARGEVNXZPJCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-26-27(20-23(2)3,21-24(4)5)22-25(6)7/h23-25H,8-16,19-22H2,1-7H3.
What are the key properties of tris(2-methylpropyl)-tridec-2-ynoxysilane?
tris(2-methylpropyl)-tridec-2-ynoxysilane has a molecular weight of 394.76 g/mol, XLogP of 8.45, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)-tridec-2-ynoxysilane is sourced from PubChem (CID 531267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).