tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane

C29H42O4Si — CID 59483263

IUPACtert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
SMILESCOC1O[C@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](OC)[C@H]1C(C)(C)C2(C)C
InChIInChI=1S/C29H42O4Si/c1-26(2,3)34(21-16-12-10-13-17-21,22-18-14-11-15-19-22)32-20-29-24(30-8)23(25(31-9)33-29)27(4,5)28(29,6)7/h10-19,23-25H,20H2,1-9H3/t23-,24+,25?,29-/m1/s1
InChIKeyJNDJHZWSVFOLFM-XQMVLCGCSA-N
MW482.74 g/mol
LogP5.00
Rot. Bonds7

About tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane

tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane (PubChem CID 59483263) has the molecular formula C29H42O4Si and a molecular weight of 482.74 g/mol. Its IUPAC name is tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
PubChem CID59483263
Molecular FormulaC29H42O4Si
Molecular Weight482.74 g/mol
Exact Mass482.29
IUPAC Nametert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
SMILESCOC1O[C@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](OC)[C@H]1C(C)(C)C2(C)C
InChIInChI=1S/C29H42O4Si/c1-26(2,3)34(21-16-12-10-13-17-21,22-18-14-11-15-19-22)32-20-29-24(30-8)23(25(31-9)33-29)27(4,5)28(29,6)7/h10-19,23-25H,20H2,1-9H3/t23-,24+,25?,29-/m1/s1
InChIKeyJNDJHZWSVFOLFM-XQMVLCGCSA-N
XLogP5.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.74
LogP ≤ 55.00
H-Bond Donors ≤ 50
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-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane (CID 59483263) is tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane is COC1O[C@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](OC)[C@H]1C(C)(C)C2(C)C.
What is the InChIKey of tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The InChIKey is JNDJHZWSVFOLFM-XQMVLCGCSA-N. The full InChI is InChI=1S/C29H42O4Si/c1-26(2,3)34(21-16-12-10-13-17-21,22-18-14-11-15-19-22)32-20-29-24(30-8)23(25(31-9)33-29)27(4,5)28(29,6)7/h10-19,23-25H,20H2,1-9H3/t23-,24+,25?,29-/m1/s1.
What are the key properties of tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane has a molecular weight of 482.74 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-5,5,6,6-tetramethyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 59483263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).