tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane

C54H70O7Si — CID 11251484

IUPACtert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane
SMILESC=C1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](/C=C/C(C)(C)C2=CCC[C@@H](C[C@@H](OCc3ccc(OC)cc3)[C@@H](C)OCOCc3ccccc3)O2)C1
InChIInChI=1S/C54H70O7Si/c1-41-35-47(60-48(36-41)32-34-59-62(53(3,4)5,49-22-14-10-15-23-49)50-24-16-11-17-25-50)31-33-54(6,7)52-26-18-21-46(61-52)37-51(57-39-44-27-29-45(55-8)30-28-44)42(2)58-40-56-38-43-19-12-9-13-20-43/h9-17,19-20,22-31,33,42,46-48,51H,1,18,21,32,34-40H2,2-8H3/b33-31+/t42-,46+,47+,48-,51-/m1/s1
InChIKeyZPMHIENBNNAPJN-MFUUMNQQSA-N
MW859.23 g/mol
LogP11.27
Rot. Bonds21

About tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane (PubChem CID 11251484) has the molecular formula C54H70O7Si and a molecular weight of 859.23 g/mol. Its IUPAC name is tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane
PubChem CID11251484
Molecular FormulaC54H70O7Si
Molecular Weight859.23 g/mol
Exact Mass858.49
IUPAC Nametert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane
SMILESC=C1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](/C=C/C(C)(C)C2=CCC[C@@H](C[C@@H](OCc3ccc(OC)cc3)[C@@H](C)OCOCc3ccccc3)O2)C1
InChIInChI=1S/C54H70O7Si/c1-41-35-47(60-48(36-41)32-34-59-62(53(3,4)5,49-22-14-10-15-23-49)50-24-16-11-17-25-50)31-33-54(6,7)52-26-18-21-46(61-52)37-51(57-39-44-27-29-45(55-8)30-28-44)42(2)58-40-56-38-43-19-12-9-13-20-43/h9-17,19-20,22-31,33,42,46-48,51H,1,18,21,32,34-40H2,2-8H3/b33-31+/t42-,46+,47+,48-,51-/m1/s1
InChIKeyZPMHIENBNNAPJN-MFUUMNQQSA-N
XLogP11.27
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.23
LogP ≤ 511.27
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane (CID 11251484) is tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane is C=C1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](/C=C/C(C)(C)C2=CCC[C@@H](C[C@@H](OCc3ccc(OC)cc3)[C@@H](C)OCOCc3ccccc3)O2)C1.
What is the InChIKey of tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane?
The InChIKey is ZPMHIENBNNAPJN-MFUUMNQQSA-N. The full InChI is InChI=1S/C54H70O7Si/c1-41-35-47(60-48(36-41)32-34-59-62(53(3,4)5,49-22-14-10-15-23-49)50-24-16-11-17-25-50)31-33-54(6,7)52-26-18-21-46(61-52)37-51(57-39-44-27-29-45(55-8)30-28-44)42(2)58-40-56-38-43-19-12-9-13-20-43/h9-17,19-20,22-31,33,42,46-48,51H,1,18,21,32,34-40H2,2-8H3/b33-31+/t42-,46+,47+,48-,51-/m1/s1.
What are the key properties of tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane has a molecular weight of 859.23 g/mol, XLogP of 11.27, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 11251484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).