tert-butyl-diphenyl-prop-2-ynoxysilane

C19H22OSi — CID 610226

IUPACtert-butyl-diphenyl-prop-2-ynoxysilane
SMILESC#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H22OSi/c1-5-16-20-21(19(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h1,6-15H,16H2,2-4H3
InChIKeyFCIMVIXBNIWHMA-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.20
Rot. Bonds4

About tert-butyl-diphenyl-prop-2-ynoxysilane

tert-butyl-diphenyl-prop-2-ynoxysilane (PubChem CID 610226) has the molecular formula C19H22OSi and a molecular weight of 294.47 g/mol. Its IUPAC name is tert-butyl-diphenyl-prop-2-ynoxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-prop-2-ynoxysilane
PubChem CID610226
Molecular FormulaC19H22OSi
Molecular Weight294.47 g/mol
Exact Mass294.14
IUPAC Nametert-butyl-diphenyl-prop-2-ynoxysilane
SMILESC#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H22OSi/c1-5-16-20-21(19(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h1,6-15H,16H2,2-4H3
InChIKeyFCIMVIXBNIWHMA-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.20
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 tert-butyl-diphenyl-prop-2-ynoxysilane?
The IUPAC name of tert-butyl-diphenyl-prop-2-ynoxysilane (CID 610226) is tert-butyl-diphenyl-prop-2-ynoxysilane.
What is the SMILES notation for tert-butyl-diphenyl-prop-2-ynoxysilane?
The canonical SMILES for tert-butyl-diphenyl-prop-2-ynoxysilane is C#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-prop-2-ynoxysilane?
The InChIKey is FCIMVIXBNIWHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OSi/c1-5-16-20-21(19(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h1,6-15H,16H2,2-4H3.
What are the key properties of tert-butyl-diphenyl-prop-2-ynoxysilane?
tert-butyl-diphenyl-prop-2-ynoxysilane has a molecular weight of 294.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-prop-2-ynoxysilane is sourced from PubChem (CID 610226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).