[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane

C25H54O3Si3 — CID 11799156

IUPAC[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O3Si3/c1-23(2,3)29(10,11)26-19-20-16-17-21(27-30(12,13)24(4,5)6)18-22(20)28-31(14,15)25(7,8)9/h16,21-22H,17-19H2,1-15H3/t21-,22+/m1/s1
InChIKeyZXVXJYBDDRSESM-YADHBBJMSA-N
MW486.96 g/mol
LogP8.51
Rot. Bonds7

About [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane

[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11799156) has the molecular formula C25H54O3Si3 and a molecular weight of 486.96 g/mol. Its IUPAC name is [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11799156
Molecular FormulaC25H54O3Si3
Molecular Weight486.96 g/mol
Exact Mass486.34
IUPAC Name[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O3Si3/c1-23(2,3)29(10,11)26-19-20-16-17-21(27-30(12,13)24(4,5)6)18-22(20)28-31(14,15)25(7,8)9/h16,21-22H,17-19H2,1-15H3/t21-,22+/m1/s1
InChIKeyZXVXJYBDDRSESM-YADHBBJMSA-N
XLogP8.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.96
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane 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 [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane (CID 11799156) is [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1=CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ZXVXJYBDDRSESM-YADHBBJMSA-N. The full InChI is InChI=1S/C25H54O3Si3/c1-23(2,3)29(10,11)26-19-20-16-17-21(27-30(12,13)24(4,5)6)18-22(20)28-31(14,15)25(7,8)9/h16,21-22H,17-19H2,1-15H3/t21-,22+/m1/s1.
What are the key properties of [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane?
[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 486.96 g/mol, XLogP of 8.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11799156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).