tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane

C25H39BO3Si — CID 177326136

IUPACtert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane
SMILES[2H]C([2H])(CO[Si](C)(C)C(C)(C)C)C([2H])([2H])c1cccc2cccc(B3OC(C)(C)C(C)(C)O3)c12
InChIInChI=1S/C25H39BO3Si/c1-23(2,3)30(8,9)27-18-12-16-20-14-10-13-19-15-11-17-21(22(19)20)26-28-24(4,5)25(6,7)29-26/h10-11,13-15,17H,12,16,18H2,1-9H3/i12D2,16D2
InChIKeyDBJZHKKGGIENDE-USTDIDCUSA-N
MW430.51 g/mol
LogP6.09
Rot. Bonds6

About tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane

tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane (PubChem CID 177326136) has the molecular formula C25H39BO3Si and a molecular weight of 430.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane
PubChem CID177326136
Molecular FormulaC25H39BO3Si
Molecular Weight430.51 g/mol
Exact Mass430.30
IUPAC Nametert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane
SMILES[2H]C([2H])(CO[Si](C)(C)C(C)(C)C)C([2H])([2H])c1cccc2cccc(B3OC(C)(C)C(C)(C)O3)c12
InChIInChI=1S/C25H39BO3Si/c1-23(2,3)30(8,9)27-18-12-16-20-14-10-13-19-15-11-17-21(22(19)20)26-28-24(4,5)25(6,7)29-26/h10-11,13-15,17H,12,16,18H2,1-9H3/i12D2,16D2
InChIKeyDBJZHKKGGIENDE-USTDIDCUSA-N
XLogP6.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane (CID 177326136) is tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane is [2H]C([2H])(CO[Si](C)(C)C(C)(C)C)C([2H])([2H])c1cccc2cccc(B3OC(C)(C)C(C)(C)O3)c12.
What is the InChIKey of tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane?
The InChIKey is DBJZHKKGGIENDE-USTDIDCUSA-N. The full InChI is InChI=1S/C25H39BO3Si/c1-23(2,3)30(8,9)27-18-12-16-20-14-10-13-19-15-11-17-21(22(19)20)26-28-24(4,5)25(6,7)29-26/h10-11,13-15,17H,12,16,18H2,1-9H3/i12D2,16D2.
What are the key properties of tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane?
tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane has a molecular weight of 430.51 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2,2,3,3-tetradeuterio-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy]silane is sourced from PubChem (CID 177326136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).