[(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane

C23H42OSi3 — CID 102048786

IUPAC[(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
SMILESCC1=C(C)C[Si@](C(C)(C)C)([Si](C)(C)C)[C@@](O[Si](C)(C)C)(c2ccccc2)C1
InChIInChI=1S/C23H42OSi3/c1-19-17-23(24-25(6,7)8,21-15-13-12-14-16-21)27(18-20(19)2,22(3,4)5)26(9,10)11/h12-16H,17-18H2,1-11H3/t23-,27-/m1/s1
InChIKeyOXZLIPVFNSCLRM-YIXXDRMTSA-N
MW418.85 g/mol
LogP7.68
Rot. Bonds4

About [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane

[(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane (PubChem CID 102048786) has the molecular formula C23H42OSi3 and a molecular weight of 418.85 g/mol. Its IUPAC name is [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
PubChem CID102048786
Molecular FormulaC23H42OSi3
Molecular Weight418.85 g/mol
Exact Mass418.25
IUPAC Name[(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
SMILESCC1=C(C)C[Si@](C(C)(C)C)([Si](C)(C)C)[C@@](O[Si](C)(C)C)(c2ccccc2)C1
InChIInChI=1S/C23H42OSi3/c1-19-17-23(24-25(6,7)8,21-15-13-12-14-16-21)27(18-20(19)2,22(3,4)5)26(9,10)11/h12-16H,17-18H2,1-11H3/t23-,27-/m1/s1
InChIKeyOXZLIPVFNSCLRM-YIXXDRMTSA-N
XLogP7.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.85
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

trimethyl-(1-phenylcyclopropyl)silane
CID 5314804
2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile
CID 13199261
trimethyl-[(1R,2R)-1-methyl-2-phenyl-2-trimethylsilyloxycyclopropyl]oxysilane
CID 102015524
(1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine
CID 101178415
trimethyl-[[(1S,3R,4R)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane
CID 10862679
trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane
CID 23249430
[6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane
CID 122369555
[(1S,2S)-1-methoxy-2-phenyl-2-propan-2-ylcyclopropyl]oxy-trimethylsilane
CID 10378846
cis-(1R,2S)-2-phenyl-1-propan-2-yl-2-trimethylsilyloxycyclopropan-1-ol
CID 10956424
tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane
CID 134924163
[(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane
CID 101474219
2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite
CID 102464206

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane?
The IUPAC name of [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane (CID 102048786) is [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane is CC1=C(C)C[Si@](C(C)(C)C)([Si](C)(C)C)[C@@](O[Si](C)(C)C)(c2ccccc2)C1.
What is the InChIKey of [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane?
The InChIKey is OXZLIPVFNSCLRM-YIXXDRMTSA-N. The full InChI is InChI=1S/C23H42OSi3/c1-19-17-23(24-25(6,7)8,21-15-13-12-14-16-21)27(18-20(19)2,22(3,4)5)26(9,10)11/h12-16H,17-18H2,1-11H3/t23-,27-/m1/s1.
What are the key properties of [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane?
[(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane has a molecular weight of 418.85 g/mol, XLogP of 7.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane is sourced from PubChem (CID 102048786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).