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

C26H36O4Si — CID 59483195

IUPACtert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
SMILESCOC1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(C)[C@H]1[C@@H]2OC
InChIInChI=1S/C26H36O4Si/c1-19-17-26(23(27-5)22(19)24(28-6)30-26)18-29-31(25(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19?,22-,23-,24?,26+/m0/s1
InChIKeyLAOJDNMFJYXTJS-WXBFWVIBSA-N
MW440.66 g/mol
LogP3.98
Rot. Bonds7

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

tert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane (PubChem CID 59483195) has the molecular formula C26H36O4Si and a molecular weight of 440.66 g/mol. Its IUPAC name is tert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
PubChem CID59483195
Molecular FormulaC26H36O4Si
Molecular Weight440.66 g/mol
Exact Mass440.24
IUPAC Nametert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
SMILESCOC1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(C)[C@H]1[C@@H]2OC
InChIInChI=1S/C26H36O4Si/c1-19-17-26(23(27-5)22(19)24(28-6)30-26)18-29-31(25(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19?,22-,23-,24?,26+/m0/s1
InChIKeyLAOJDNMFJYXTJS-WXBFWVIBSA-N
XLogP3.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 53.98
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,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane (CID 59483195) is tert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane is COC1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(C)[C@H]1[C@@H]2OC.
What is the InChIKey of tert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The InChIKey is LAOJDNMFJYXTJS-WXBFWVIBSA-N. The full InChI is InChI=1S/C26H36O4Si/c1-19-17-26(23(27-5)22(19)24(28-6)30-26)18-29-31(25(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19?,22-,23-,24?,26+/m0/s1.
What are the key properties of tert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
tert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane has a molecular weight of 440.66 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,4S,7S)-3,7-dimethoxy-5-methyl-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 59483195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).