tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane

C24H42BNO3Si — CID 162786485

IUPACtert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane
SMILESCC1(C)OB(c2ccc(C3CCNC3CCO[Si](C)(C)C(C)(C)C)cc2)OC1(C)C
InChIInChI=1S/C24H42BNO3Si/c1-22(2,3)30(8,9)27-17-15-21-20(14-16-26-21)18-10-12-19(13-11-18)25-28-23(4,5)24(6,7)29-25/h10-13,20-21,26H,14-17H2,1-9H3
InChIKeyHEPKNFQRRZLTJH-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.84
Rot. Bonds6

About tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane

tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane (PubChem CID 162786485) has the molecular formula C24H42BNO3Si and a molecular weight of 431.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane
PubChem CID162786485
Molecular FormulaC24H42BNO3Si
Molecular Weight431.50 g/mol
Exact Mass431.30
IUPAC Nametert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane
SMILESCC1(C)OB(c2ccc(C3CCNC3CCO[Si](C)(C)C(C)(C)C)cc2)OC1(C)C
InChIInChI=1S/C24H42BNO3Si/c1-22(2,3)30(8,9)27-17-15-21-20(14-16-26-21)18-10-12-19(13-11-18)25-28-23(4,5)24(6,7)29-25/h10-13,20-21,26H,14-17H2,1-9H3
InChIKeyHEPKNFQRRZLTJH-UHFFFAOYSA-N
XLogP4.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane (CID 162786485) is tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane is CC1(C)OB(c2ccc(C3CCNC3CCO[Si](C)(C)C(C)(C)C)cc2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane?
The InChIKey is HEPKNFQRRZLTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42BNO3Si/c1-22(2,3)30(8,9)27-17-15-21-20(14-16-26-21)18-10-12-19(13-11-18)25-28-23(4,5)24(6,7)29-25/h10-13,20-21,26H,14-17H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane?
tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane has a molecular weight of 431.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-yl]ethoxy]silane is sourced from PubChem (CID 162786485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).