trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane

C12H22OSi2 — CID 139249384

IUPACtrimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane
SMILESC#CC(C)(C#C[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H22OSi2/c1-9-12(2,13-15(6,7)8)10-11-14(3,4)5/h1H,2-8H3
InChIKeyKCKSTYREVOEKHV-UHFFFAOYSA-N
MW238.48 g/mol
LogP3.11
Rot. Bonds2

About trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane

trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane (PubChem CID 139249384) has the molecular formula C12H22OSi2 and a molecular weight of 238.48 g/mol. Its IUPAC name is trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane.

Molecular Properties

Compound Nametrimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane
PubChem CID139249384
Molecular FormulaC12H22OSi2
Molecular Weight238.48 g/mol
Exact Mass238.12
IUPAC Nametrimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane
SMILESC#CC(C)(C#C[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H22OSi2/c1-9-12(2,13-15(6,7)8)10-11-14(3,4)5/h1H,2-8H3
InChIKeyKCKSTYREVOEKHV-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.48
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane?
The IUPAC name of trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane (CID 139249384) is trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane.
What is the SMILES notation for trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane?
The canonical SMILES for trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane is C#CC(C)(C#C[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane?
The InChIKey is KCKSTYREVOEKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi2/c1-9-12(2,13-15(6,7)8)10-11-14(3,4)5/h1H,2-8H3.
What are the key properties of trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane?
trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane has a molecular weight of 238.48 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane is sourced from PubChem (CID 139249384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).