dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane

C24H40O4Si2 — CID 155887695

IUPACdimethyl-bis(2-methylbut-3-yn-2-yloxy)silane
SMILESC#CC(C)(C)O[Si](C)(C)OC(C)(C)C#C.C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#C
InChIInChI=1S/2C12H20O2Si/c2*1-9-11(3,4)13-15(7,8)14-12(5,6)10-2/h2*1-2H,3-8H3
InChIKeyQLDMNVIGUSHKDK-UHFFFAOYSA-N
MW448.75 g/mol
LogP5.09
Rot. Bonds8

About dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane

dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane (PubChem CID 155887695) has the molecular formula C24H40O4Si2 and a molecular weight of 448.75 g/mol. Its IUPAC name is dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane.

Molecular Properties

Compound Namedimethyl-bis(2-methylbut-3-yn-2-yloxy)silane
PubChem CID155887695
Molecular FormulaC24H40O4Si2
Molecular Weight448.75 g/mol
Exact Mass448.25
IUPAC Namedimethyl-bis(2-methylbut-3-yn-2-yloxy)silane
SMILESC#CC(C)(C)O[Si](C)(C)OC(C)(C)C#C.C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#C
InChIInChI=1S/2C12H20O2Si/c2*1-9-11(3,4)13-15(7,8)14-12(5,6)10-2/h2*1-2H,3-8H3
InChIKeyQLDMNVIGUSHKDK-UHFFFAOYSA-N
XLogP5.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.75
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane?
The IUPAC name of dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane (CID 155887695) is dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane.
What is the SMILES notation for dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane?
The canonical SMILES for dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane is C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#C.C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#C.
What is the InChIKey of dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane?
The InChIKey is QLDMNVIGUSHKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20O2Si/c2*1-9-11(3,4)13-15(7,8)14-12(5,6)10-2/h2*1-2H,3-8H3.
What are the key properties of dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane?
dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane has a molecular weight of 448.75 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane is sourced from PubChem (CID 155887695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).