tributyl(hex-4-yn-3-yloxy)silane

C18H36OSi — CID 531335

IUPACtributyl(hex-4-yn-3-yloxy)silane
SMILESCC#CC(CC)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H36OSi/c1-6-11-15-20(16-12-7-2,17-13-8-3)19-18(10-5)14-9-4/h18H,6-8,10-13,15-17H2,1-5H3
InChIKeySKDQNNCKLOBHGP-UHFFFAOYSA-N
MW296.57 g/mol
LogP6.15
Rot. Bonds12

About tributyl(hex-4-yn-3-yloxy)silane

tributyl(hex-4-yn-3-yloxy)silane (PubChem CID 531335) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is tributyl(hex-4-yn-3-yloxy)silane.

Molecular Properties

Compound Nametributyl(hex-4-yn-3-yloxy)silane
PubChem CID531335
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametributyl(hex-4-yn-3-yloxy)silane
SMILESCC#CC(CC)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H36OSi/c1-6-11-15-20(16-12-7-2,17-13-8-3)19-18(10-5)14-9-4/h18H,6-8,10-13,15-17H2,1-5H3
InChIKeySKDQNNCKLOBHGP-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.15
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-tert-Butyldimethylsiloxybut-3-yne
CID 11030500
Triethyl((4-(triethylsilyl)-3-butyn-1-yl)oxy)silane
CID 10935420
tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]oxysilane
CID 10997990
tert-butyl-[(2S)-but-3-yn-2-yl]oxy-dimethylsilane
CID 10867152
(R)-tert-butyldimethyl(pent-4-yn-2-yloxy)silane
CID 10910507
(3R)-3-(tert-butyl(dimethyl)silyl)oxy-1-butyne
CID 11030608
Trimethyl(pent-1-yn-3-yloxy)silane
CID 14934043
Tert-butyl-dimethyl-(4-trimethylsilylbut-3-yn-2-yloxy)silane
CID 72796492
tert-butyl-dimethyl-[(3S)-pent-1-yn-3-yl]oxysilane
CID 87984696
2-Triisobutylsilyloxybut-3-yne
CID 531258
3-Triisobutyloxyhex-4-yne
CID 531261
3-Dimethylisopropylsilyloxyhex-4-yne
CID 531287

Frequently Asked Questions

What is the IUPAC name of tributyl(hex-4-yn-3-yloxy)silane?
The IUPAC name of tributyl(hex-4-yn-3-yloxy)silane (CID 531335) is tributyl(hex-4-yn-3-yloxy)silane.
What is the SMILES notation for tributyl(hex-4-yn-3-yloxy)silane?
The canonical SMILES for tributyl(hex-4-yn-3-yloxy)silane is CC#CC(CC)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(hex-4-yn-3-yloxy)silane?
The InChIKey is SKDQNNCKLOBHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-6-11-15-20(16-12-7-2,17-13-8-3)19-18(10-5)14-9-4/h18H,6-8,10-13,15-17H2,1-5H3.
What are the key properties of tributyl(hex-4-yn-3-yloxy)silane?
tributyl(hex-4-yn-3-yloxy)silane has a molecular weight of 296.57 g/mol, XLogP of 6.15, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(hex-4-yn-3-yloxy)silane is sourced from PubChem (CID 531335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).