trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane

C20H34O3Si2 — CID 54445108

IUPACtrimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
SMILESC#CC(C)(C)O[Si](CC[Si](C)(C)C)(OC(C)(C)C#C)OC(C)(C)C#C
InChIInChI=1S/C20H34O3Si2/c1-13-18(4,5)21-25(17-16-24(10,11)12,22-19(6,7)14-2)23-20(8,9)15-3/h1-3H,16-17H2,4-12H3
InChIKeyWQYDJDSMSVYCFS-UHFFFAOYSA-N
MW378.66 g/mol
LogP4.55
Rot. Bonds9

About trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane

trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane (PubChem CID 54445108) has the molecular formula C20H34O3Si2 and a molecular weight of 378.66 g/mol. Its IUPAC name is trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
PubChem CID54445108
Molecular FormulaC20H34O3Si2
Molecular Weight378.66 g/mol
Exact Mass378.20
IUPAC Nametrimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
SMILESC#CC(C)(C)O[Si](CC[Si](C)(C)C)(OC(C)(C)C#C)OC(C)(C)C#C
InChIInChI=1S/C20H34O3Si2/c1-13-18(4,5)21-25(17-16-24(10,11)12,22-19(6,7)14-2)23-20(8,9)15-3/h1-3H,16-17H2,4-12H3
InChIKeyWQYDJDSMSVYCFS-UHFFFAOYSA-N
XLogP4.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane?
The IUPAC name of trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane (CID 54445108) is trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane?
The canonical SMILES for trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane is C#CC(C)(C)O[Si](CC[Si](C)(C)C)(OC(C)(C)C#C)OC(C)(C)C#C.
What is the InChIKey of trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane?
The InChIKey is WQYDJDSMSVYCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3Si2/c1-13-18(4,5)21-25(17-16-24(10,11)12,22-19(6,7)14-2)23-20(8,9)15-3/h1-3H,16-17H2,4-12H3.
What are the key properties of trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane?
trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane has a molecular weight of 378.66 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane is sourced from PubChem (CID 54445108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).