Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate

C34H42O6SiTe — CID 122173434

IUPACTe-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate
SMILESCC1(C)O[C@H]2[C@H](OC(C)(C)O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C(=O)[Te]c2ccccc2)O1
InChIInChI=1S/C34H42O6SiTe/c1-32(2,3)41(24-17-11-8-12-18-24,25-19-13-9-14-20-25)36-23-27-28-29(39-33(4,5)37-27)30(40-34(6,7)38-28)31(35)42-26-21-15-10-16-22-26/h8-22,27-30H,23H2,1-7H3/t27-,28-,29+,30+/m1/s1
InChIKeyHIHKPLZEFYGNMR-XAZDILKDSA-N
MW702.39 g/mol
LogP4.16
Rot. Bonds8

About Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate

Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate (PubChem CID 122173434) has the molecular formula C34H42O6SiTe and a molecular weight of 702.39 g/mol. Its IUPAC name is Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate.

Molecular Properties

Compound NameTe-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate
PubChem CID122173434
Molecular FormulaC34H42O6SiTe
Molecular Weight702.39 g/mol
Exact Mass704.18
IUPAC NameTe-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate
SMILESCC1(C)O[C@H]2[C@H](OC(C)(C)O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C(=O)[Te]c2ccccc2)O1
InChIInChI=1S/C34H42O6SiTe/c1-32(2,3)41(24-17-11-8-12-18-24,25-19-13-9-14-20-25)36-23-27-28-29(39-33(4,5)37-27)30(40-34(6,7)38-28)31(35)42-26-21-15-10-16-22-26/h8-22,27-30H,23H2,1-7H3/t27-,28-,29+,30+/m1/s1
InChIKeyHIHKPLZEFYGNMR-XAZDILKDSA-N
XLogP4.16
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate with MolForge

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Frequently Asked Questions

What is the IUPAC name of Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate?
The IUPAC name of Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate (CID 122173434) is Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate.
What is the SMILES notation for Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate?
The canonical SMILES for Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate is CC1(C)O[C@H]2[C@H](OC(C)(C)O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C(=O)[Te]c2ccccc2)O1.
What is the InChIKey of Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate?
The InChIKey is HIHKPLZEFYGNMR-XAZDILKDSA-N. The full InChI is InChI=1S/C34H42O6SiTe/c1-32(2,3)41(24-17-11-8-12-18-24,25-19-13-9-14-20-25)36-23-27-28-29(39-33(4,5)37-27)30(40-34(6,7)38-28)31(35)42-26-21-15-10-16-22-26/h8-22,27-30H,23H2,1-7H3/t27-,28-,29+,30+/m1/s1.
What are the key properties of Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate?
Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate has a molecular weight of 702.39 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Te-phenyl (4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbotelluroate is sourced from PubChem (CID 122173434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).