tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane

C31H46O7SSi — CID 11169285

IUPACtert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane
SMILESCCCOc1c(OC)cc([C@@H]2C=C[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1SCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H46O7SSi/c1-11-14-36-30-27(34-7)19-22(20-28(30)39-16-15-37-40(9,10)31(2,3)4)24-13-12-23(38-24)21-17-25(32-5)29(35-8)26(18-21)33-6/h12-13,17-20,23-24H,11,14-16H2,1-10H3/t23-,24-/m0/s1
InChIKeyRTYXTPCXQKTZDX-ZEQRLZLVSA-N
MW590.86 g/mol
LogP7.99
Rot. Bonds14

About tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane

tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane (PubChem CID 11169285) has the molecular formula C31H46O7SSi and a molecular weight of 590.86 g/mol. Its IUPAC name is tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane
PubChem CID11169285
Molecular FormulaC31H46O7SSi
Molecular Weight590.86 g/mol
Exact Mass590.27
IUPAC Nametert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane
SMILESCCCOc1c(OC)cc([C@@H]2C=C[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1SCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H46O7SSi/c1-11-14-36-30-27(34-7)19-22(20-28(30)39-16-15-37-40(9,10)31(2,3)4)24-13-12-23(38-24)21-17-25(32-5)29(35-8)26(18-21)33-6/h12-13,17-20,23-24H,11,14-16H2,1-10H3/t23-,24-/m0/s1
InChIKeyRTYXTPCXQKTZDX-ZEQRLZLVSA-N
XLogP7.99
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.86
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane (CID 11169285) is tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane is CCCOc1c(OC)cc([C@@H]2C=C[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1SCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane?
The InChIKey is RTYXTPCXQKTZDX-ZEQRLZLVSA-N. The full InChI is InChI=1S/C31H46O7SSi/c1-11-14-36-30-27(34-7)19-22(20-28(30)39-16-15-37-40(9,10)31(2,3)4)24-13-12-23(38-24)21-17-25(32-5)29(35-8)26(18-21)33-6/h12-13,17-20,23-24H,11,14-16H2,1-10H3/t23-,24-/m0/s1.
What are the key properties of tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane?
tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane has a molecular weight of 590.86 g/mol, XLogP of 7.99, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-2-yl]phenyl]sulfanylethoxy]-dimethylsilane is sourced from PubChem (CID 11169285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).