tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane

C48H62O7Si — CID 11216506

IUPACtert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane
SMILESC=C[C@H](C)[C@@H](CCOCc1ccc(OC)cc1)O[C@]1(C=C)CC[C@H](OC)[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccccc2)O1
InChIInChI=1S/C48H62O7Si/c1-9-37(3)43(31-33-51-34-39-26-28-40(49-7)29-27-39)54-48(10-2)32-30-44(50-8)46(55-48)45(52-35-38-20-14-11-15-21-38)36-53-56(47(4,5)6,41-22-16-12-17-23-41)42-24-18-13-19-25-42/h9-29,37,43-46H,1-2,30-36H2,3-8H3/t37-,43+,44-,45+,46-,48-/m0/s1
InChIKeyINSQZKIVMWUCBI-PSXAGZKTSA-N
MW779.10 g/mol
LogP9.05
Rot. Bonds21

About tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane

tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane (PubChem CID 11216506) has the molecular formula C48H62O7Si and a molecular weight of 779.10 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane
PubChem CID11216506
Molecular FormulaC48H62O7Si
Molecular Weight779.10 g/mol
Exact Mass778.43
IUPAC Nametert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane
SMILESC=C[C@H](C)[C@@H](CCOCc1ccc(OC)cc1)O[C@]1(C=C)CC[C@H](OC)[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccccc2)O1
InChIInChI=1S/C48H62O7Si/c1-9-37(3)43(31-33-51-34-39-26-28-40(49-7)29-27-39)54-48(10-2)32-30-44(50-8)46(55-48)45(52-35-38-20-14-11-15-21-38)36-53-56(47(4,5)6,41-22-16-12-17-23-41)42-24-18-13-19-25-42/h9-29,37,43-46H,1-2,30-36H2,3-8H3/t37-,43+,44-,45+,46-,48-/m0/s1
InChIKeyINSQZKIVMWUCBI-PSXAGZKTSA-N
XLogP9.05
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.10
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane (CID 11216506) is tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane is C=C[C@H](C)[C@@H](CCOCc1ccc(OC)cc1)O[C@]1(C=C)CC[C@H](OC)[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccccc2)O1.
What is the InChIKey of tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane?
The InChIKey is INSQZKIVMWUCBI-PSXAGZKTSA-N. The full InChI is InChI=1S/C48H62O7Si/c1-9-37(3)43(31-33-51-34-39-26-28-40(49-7)29-27-39)54-48(10-2)32-30-44(50-8)46(55-48)45(52-35-38-20-14-11-15-21-38)36-53-56(47(4,5)6,41-22-16-12-17-23-41)42-24-18-13-19-25-42/h9-29,37,43-46H,1-2,30-36H2,3-8H3/t37-,43+,44-,45+,46-,48-/m0/s1.
What are the key properties of tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane?
tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane has a molecular weight of 779.10 g/mol, XLogP of 9.05, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[(2S,3S,6R)-6-ethenyl-3-methoxy-6-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-en-3-yl]oxyoxan-2-yl]-2-phenylmethoxyethoxy]-diphenylsilane is sourced from PubChem (CID 11216506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).