tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane

C33H54O7Si — CID 139190266

IUPACtert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane
SMILESCOCO[C@@H](C[C@H](OC)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)[C@H](CC(OC)OC)OC
InChIInChI=1S/C33H54O7Si/c1-25(29(35-7)21-31(39-24-34-6)26(2)30(36-8)22-32(37-9)38-10)23-40-41(33(3,4)5,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h11-20,25-26,29-32H,21-24H2,1-10H3/t25-,26+,29-,30-,31-/m0/s1
InChIKeyAYFSREPAVUSQCQ-ZVHCFVJJSA-N
MW590.87 g/mol
LogP5.25
Rot. Bonds19

About tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane

tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane (PubChem CID 139190266) has the molecular formula C33H54O7Si and a molecular weight of 590.87 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane
PubChem CID139190266
Molecular FormulaC33H54O7Si
Molecular Weight590.87 g/mol
Exact Mass590.36
IUPAC Nametert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane
SMILESCOCO[C@@H](C[C@H](OC)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)[C@H](CC(OC)OC)OC
InChIInChI=1S/C33H54O7Si/c1-25(29(35-7)21-31(39-24-34-6)26(2)30(36-8)22-32(37-9)38-10)23-40-41(33(3,4)5,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h11-20,25-26,29-32H,21-24H2,1-10H3/t25-,26+,29-,30-,31-/m0/s1
InChIKeyAYFSREPAVUSQCQ-ZVHCFVJJSA-N
XLogP5.25
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.87
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane (CID 139190266) is tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane is COCO[C@@H](C[C@H](OC)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)[C@H](CC(OC)OC)OC.
What is the InChIKey of tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane?
The InChIKey is AYFSREPAVUSQCQ-ZVHCFVJJSA-N. The full InChI is InChI=1S/C33H54O7Si/c1-25(29(35-7)21-31(39-24-34-6)26(2)30(36-8)22-32(37-9)38-10)23-40-41(33(3,4)5,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h11-20,25-26,29-32H,21-24H2,1-10H3/t25-,26+,29-,30-,31-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane?
tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane has a molecular weight of 590.87 g/mol, XLogP of 5.25, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane is sourced from PubChem (CID 139190266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).