bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane

C15H26OSi — CID 178178575

IUPACbis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane
SMILESCCO[Si](C)(C#CC(C)(C)C)C#CC(C)(C)C
InChIInChI=1S/C15H26OSi/c1-9-16-17(8,12-10-14(2,3)4)13-11-15(5,6)7/h9H2,1-8H3
InChIKeyNZFUIRLGUZAWEF-UHFFFAOYSA-N
MW250.46 g/mol
LogP3.78
Rot. Bonds2

About bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane

bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane (PubChem CID 178178575) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane.

Molecular Properties

Compound Namebis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane
PubChem CID178178575
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Namebis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane
SMILESCCO[Si](C)(C#CC(C)(C)C)C#CC(C)(C)C
InChIInChI=1S/C15H26OSi/c1-9-16-17(8,12-10-14(2,3)4)13-11-15(5,6)7/h9H2,1-8H3
InChIKeyNZFUIRLGUZAWEF-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 53.78
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

tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane
CID 86138061
1-chloro-3,3-dimethylbut-1-yne
CID 11423579
triethoxy(methyl)silane
CID 16241
N-[(tert-butylamino)-diethoxysilyl]-2-methylpropan-2-amine
CID 23279122
triethoxy(2-triethoxysilylpropan-2-yl)silane
CID 18432084
1-[diethoxy(methyl)silyl]propane-1,1-diol
CID 142706911
triethoxy-(ethyl-methyl-triethoxysilylsilyl)silane
CID 175421619
triethoxy(methyl)silane;hydrate
CID 159569985
alumane;diethoxy(dimethyl)silane
CID 175326080
diethoxy-bis(3-ethyl-2-methylpentan-2-yl)silane
CID 139910316
ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
CID 153321945
triethoxy(2,3,3-trimethylbutan-2-yl)silane
CID 18000011

Frequently Asked Questions

What is the IUPAC name of bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane?
The IUPAC name of bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane (CID 178178575) is bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane.
What is the SMILES notation for bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane?
The canonical SMILES for bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane is CCO[Si](C)(C#CC(C)(C)C)C#CC(C)(C)C.
What is the InChIKey of bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane?
The InChIKey is NZFUIRLGUZAWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSi/c1-9-16-17(8,12-10-14(2,3)4)13-11-15(5,6)7/h9H2,1-8H3.
What are the key properties of bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane?
bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane has a molecular weight of 250.46 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-dimethylbut-1-ynyl)-ethoxy-methylsilane is sourced from PubChem (CID 178178575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).