tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane

C32H40O4Si — CID 45379868

IUPACtert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane
SMILESC[C@H]1[C@H](COCc2ccccc2)O[C@@H]2C[C@H]1O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H40O4Si/c1-24-28-20-29(36-30(24)22-33-21-25-14-8-5-9-15-25)31(35-28)23-34-37(32(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24,28-31H,20-23H2,1-4H3/t24-,28-,29-,30+,31-/m1/s1
InChIKeyIAIHHVHUIZHKGC-RZBRXQIYSA-N
MW516.75 g/mol
LogP5.34
Rot. Bonds9

About tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane

tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane (PubChem CID 45379868) has the molecular formula C32H40O4Si and a molecular weight of 516.75 g/mol. Its IUPAC name is tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane
PubChem CID45379868
Molecular FormulaC32H40O4Si
Molecular Weight516.75 g/mol
Exact Mass516.27
IUPAC Nametert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane
SMILESC[C@H]1[C@H](COCc2ccccc2)O[C@@H]2C[C@H]1O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H40O4Si/c1-24-28-20-29(36-30(24)22-33-21-25-14-8-5-9-15-25)31(35-28)23-34-37(32(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24,28-31H,20-23H2,1-4H3/t24-,28-,29-,30+,31-/m1/s1
InChIKeyIAIHHVHUIZHKGC-RZBRXQIYSA-N
XLogP5.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.75
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
CID 101473888
tert-butyl-[2-[(2R,3R,4R,5R)-2-(iodomethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-3-yl]ethoxy]-diphenylsilane
CID 134844367
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
(2S,4R,5R)-2-[(3R,4S,6R)-5-[(2R,3R,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,3,4-tris(phenylmethoxy)-6-prop-2-enoxycyclohexyl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 89005943
(2S,4R,5S)-2-[(3S,4S,6R)-5-[(2R,3R,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,3,4-tris(phenylmethoxy)-6-prop-2-enoxycyclohexyl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 59583834
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 18649513
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
CID 134844652
(2R,3S,4R,5R,6R)-2-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-1-enyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11251211

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane (CID 45379868) is tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane is C[C@H]1[C@H](COCc2ccccc2)O[C@@H]2C[C@H]1O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane?
The InChIKey is IAIHHVHUIZHKGC-RZBRXQIYSA-N. The full InChI is InChI=1S/C32H40O4Si/c1-24-28-20-29(36-30(24)22-33-21-25-14-8-5-9-15-25)31(35-28)23-34-37(32(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24,28-31H,20-23H2,1-4H3/t24-,28-,29-,30+,31-/m1/s1.
What are the key properties of tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane?
tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane has a molecular weight of 516.75 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 45379868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).