tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane

C25H51BO3Si — CID 56837862

IUPACtert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane
SMILESCC[C@@H](C)/C=C(\C[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C25H51BO3Si/c1-14-19(2)16-22(26-28-24(8,9)25(10,11)29-26)17-20(3)15-21(4)18-27-30(12,13)23(5,6)7/h16,19-21H,14-15,17-18H2,1-13H3/b22-16+/t19-,20+,21-/m1/s1
InChIKeyJOVOOFYPFMNREP-WHTNUWSKSA-N
MW438.58 g/mol
LogP7.66
Rot. Bonds10

About tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane

tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane (PubChem CID 56837862) has the molecular formula C25H51BO3Si and a molecular weight of 438.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane
PubChem CID56837862
Molecular FormulaC25H51BO3Si
Molecular Weight438.58 g/mol
Exact Mass438.37
IUPAC Nametert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane
SMILESCC[C@@H](C)/C=C(\C[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C25H51BO3Si/c1-14-19(2)16-22(26-28-24(8,9)25(10,11)29-26)17-20(3)15-21(4)18-27-30(12,13)23(5,6)7/h16,19-21H,14-15,17-18H2,1-13H3/b22-16+/t19-,20+,21-/m1/s1
InChIKeyJOVOOFYPFMNREP-WHTNUWSKSA-N
XLogP7.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]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-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane (CID 56837862) is tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane is CC[C@@H](C)/C=C(\C[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane?
The InChIKey is JOVOOFYPFMNREP-WHTNUWSKSA-N. The full InChI is InChI=1S/C25H51BO3Si/c1-14-19(2)16-22(26-28-24(8,9)25(10,11)29-26)17-20(3)15-21(4)18-27-30(12,13)23(5,6)7/h16,19-21H,14-15,17-18H2,1-13H3/b22-16+/t19-,20+,21-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane?
tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane has a molecular weight of 438.58 g/mol, XLogP of 7.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,2R,4S,8R)-2,4,8-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-6-enoxy]silane is sourced from PubChem (CID 56837862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).