tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane

C38H44O4Si — CID 11961542

IUPACtert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane
SMILESC=CC[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](Cc2ccc(OCc3ccccc3)c(OC)c2)O1
InChIInChI=1S/C38H44O4Si/c1-6-16-31-27-37(42-43(38(2,3)4,32-19-12-8-13-20-32)33-21-14-9-15-22-33)36(41-31)26-30-23-24-34(35(25-30)39-5)40-28-29-17-10-7-11-18-29/h6-15,17-25,31,36-37H,1,16,26-28H2,2-5H3/t31-,36+,37+/m0/s1
InChIKeyUMNJGFSNFNEFDZ-JUGYDRJISA-N
MW592.85 g/mol
LogP7.50
Rot. Bonds12

About tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane

tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane (PubChem CID 11961542) has the molecular formula C38H44O4Si and a molecular weight of 592.85 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane
PubChem CID11961542
Molecular FormulaC38H44O4Si
Molecular Weight592.85 g/mol
Exact Mass592.30
IUPAC Nametert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane
SMILESC=CC[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](Cc2ccc(OCc3ccccc3)c(OC)c2)O1
InChIInChI=1S/C38H44O4Si/c1-6-16-31-27-37(42-43(38(2,3)4,32-19-12-8-13-20-32)33-21-14-9-15-22-33)36(41-31)26-30-23-24-34(35(25-30)39-5)40-28-29-17-10-7-11-18-29/h6-15,17-25,31,36-37H,1,16,26-28H2,2-5H3/t31-,36+,37+/m0/s1
InChIKeyUMNJGFSNFNEFDZ-JUGYDRJISA-N
XLogP7.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.85
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 42643409
4-[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158061300
3,4-bis[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158275652
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol
CID 11180922
2-[(2S,3R,5Z,8R,9S)-8-[tert-butyl(diphenyl)silyl]oxy-9-ethyl-3-[(4-methoxyphenyl)methoxy]-2,3,4,7,8,9-hexahydrooxonin-2-yl]acetaldehyde
CID 11628524
3,6-bis(phenylmethoxy)-9-prop-2-enyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 134952985
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-[(2S,3R,4R,4aS,6R,7R,8aS)-7-[tert-butyl(diphenyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[(4-methoxyphenyl)methoxy]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
CID 11083458
(3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane
CID 160925208
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 134834760

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane (CID 11961542) is tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane is C=CC[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](Cc2ccc(OCc3ccccc3)c(OC)c2)O1.
What is the InChIKey of tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane?
The InChIKey is UMNJGFSNFNEFDZ-JUGYDRJISA-N. The full InChI is InChI=1S/C38H44O4Si/c1-6-16-31-27-37(42-43(38(2,3)4,32-19-12-8-13-20-32)33-21-14-9-15-22-33)36(41-31)26-30-23-24-34(35(25-30)39-5)40-28-29-17-10-7-11-18-29/h6-15,17-25,31,36-37H,1,16,26-28H2,2-5H3/t31-,36+,37+/m0/s1.
What are the key properties of tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane?
tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane has a molecular weight of 592.85 g/mol, XLogP of 7.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 11961542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).