tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane

C21H29NOSi — CID 15931207

IUPACtert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane
SMILESCC(C)(C)[Si](OCC1CCNC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-17-18-14-15-22-16-18/h4-13,18,22H,14-17H2,1-3H3
InChIKeyGNIBOCBVWTYZEL-UHFFFAOYSA-N
MW339.56 g/mol
LogP3.17
Rot. Bonds5

About tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane

tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane (PubChem CID 15931207) has the molecular formula C21H29NOSi and a molecular weight of 339.56 g/mol. Its IUPAC name is tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane
PubChem CID15931207
Molecular FormulaC21H29NOSi
Molecular Weight339.56 g/mol
Exact Mass339.20
IUPAC Nametert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane
SMILESCC(C)(C)[Si](OCC1CCNC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-17-18-14-15-22-16-18/h4-13,18,22H,14-17H2,1-3H3
InChIKeyGNIBOCBVWTYZEL-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane?
The IUPAC name of tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane (CID 15931207) is tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane.
What is the SMILES notation for tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane?
The canonical SMILES for tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane is CC(C)(C)[Si](OCC1CCNC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane?
The InChIKey is GNIBOCBVWTYZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NOSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-17-18-14-15-22-16-18/h4-13,18,22H,14-17H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane?
tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane has a molecular weight of 339.56 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane is sourced from PubChem (CID 15931207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).