tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane

C13H22OSi — CID 170899523

IUPACtert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane
SMILESC#CCOCCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H22OSi/c1-7-10-14-11-8-9-12-15(5,6)13(2,3)4/h1H,8,10-11H2,2-6H3
InChIKeyCQLADISBJLZGLK-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.08
Rot. Bonds3

About tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane

tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane (PubChem CID 170899523) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane
PubChem CID170899523
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Nametert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane
SMILESC#CCOCCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H22OSi/c1-7-10-14-11-8-9-12-15(5,6)13(2,3)4/h1H,8,10-11H2,2-6H3
InChIKeyCQLADISBJLZGLK-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane?
The IUPAC name of tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane (CID 170899523) is tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane is C#CCOCCC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane?
The InChIKey is CQLADISBJLZGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-7-10-14-11-8-9-12-15(5,6)13(2,3)4/h1H,8,10-11H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane?
tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane has a molecular weight of 222.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane is sourced from PubChem (CID 170899523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).