tributyl(2-methyloct-5-yn-4-yloxy)silane

C21H42OSi — CID 531337

IUPACtributyl(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C21H42OSi/c1-7-11-15-21(19-20(5)6)22-23(16-12-8-2,17-13-9-3)18-14-10-4/h20-21H,7-10,12-14,16-19H2,1-6H3
InChIKeyKOEUKAOELHMICT-UHFFFAOYSA-N
MW338.65 g/mol
LogP7.18
Rot. Bonds13

About tributyl(2-methyloct-5-yn-4-yloxy)silane

tributyl(2-methyloct-5-yn-4-yloxy)silane (PubChem CID 531337) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is tributyl(2-methyloct-5-yn-4-yloxy)silane.

Molecular Properties

Compound Nametributyl(2-methyloct-5-yn-4-yloxy)silane
PubChem CID531337
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Nametributyl(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C21H42OSi/c1-7-11-15-21(19-20(5)6)22-23(16-12-8-2,17-13-9-3)18-14-10-4/h20-21H,7-10,12-14,16-19H2,1-6H3
InChIKeyKOEUKAOELHMICT-UHFFFAOYSA-N
XLogP7.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.65
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Triisobutylsilyloxybut-3-yne
CID 531258
3-Triisobutyloxyhex-4-yne
CID 531261
2-Methyl-4-triisobutylsilyloxyoct-5-yne
CID 531263
2,7-Dimethyl-4-triisobutylsilyloxyoct-7-en-5-yne
CID 531264
2-Methyl-4-trimethylsilyloxyoct-5-yne
CID 531270
4-Dimethylisopropylsilyloxy-2-methyloct-5-yne
CID 531289
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
2-Methyl-4-tripropylsilyloxyoct-5-yne
CID 531307
2,7-Dimethyl-4-tripropylsilyloxyoct-7-en-5-yne
CID 531308
2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
2,7-Dimethyl-4-trihexylsilyloxyoct-7-en-5-yne
CID 531319
4-Butyldimethylsilyloxy-2-methyloct-5-yne
CID 531328

Frequently Asked Questions

What is the IUPAC name of tributyl(2-methyloct-5-yn-4-yloxy)silane?
The IUPAC name of tributyl(2-methyloct-5-yn-4-yloxy)silane (CID 531337) is tributyl(2-methyloct-5-yn-4-yloxy)silane.
What is the SMILES notation for tributyl(2-methyloct-5-yn-4-yloxy)silane?
The canonical SMILES for tributyl(2-methyloct-5-yn-4-yloxy)silane is CCC#CC(CC(C)C)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(2-methyloct-5-yn-4-yloxy)silane?
The InChIKey is KOEUKAOELHMICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42OSi/c1-7-11-15-21(19-20(5)6)22-23(16-12-8-2,17-13-9-3)18-14-10-4/h20-21H,7-10,12-14,16-19H2,1-6H3.
What are the key properties of tributyl(2-methyloct-5-yn-4-yloxy)silane?
tributyl(2-methyloct-5-yn-4-yloxy)silane has a molecular weight of 338.65 g/mol, XLogP of 7.18, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-methyloct-5-yn-4-yloxy)silane is sourced from PubChem (CID 531337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).