tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane

C32H46O7Si — CID 71314427

IUPACtert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane
SMILESCCOC(C)OC1[C@H]2OC(C)(C)O[C@H]2C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C32H46O7Si/c1-10-33-21(2)34-24-25-27(37-31(6,7)35-25)29(28-26(24)36-32(8,9)38-28)39-40(30(3,4)5,22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-21,24-29H,10H2,1-9H3/t21?,24?,25-,26+,27-,28-,29?/m1/s1
InChIKeyVVRJQUGFSNMFGY-ZMTYZHHGSA-N
MW570.80 g/mol
LogP4.75
Rot. Bonds8

About tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane

tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane (PubChem CID 71314427) has the molecular formula C32H46O7Si and a molecular weight of 570.80 g/mol. Its IUPAC name is tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane
PubChem CID71314427
Molecular FormulaC32H46O7Si
Molecular Weight570.80 g/mol
Exact Mass570.30
IUPAC Nametert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane
SMILESCCOC(C)OC1[C@H]2OC(C)(C)O[C@H]2C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C32H46O7Si/c1-10-33-21(2)34-24-25-27(37-31(6,7)35-25)29(28-26(24)36-32(8,9)38-28)39-40(30(3,4)5,22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-21,24-29H,10H2,1-9H3/t21?,24?,25-,26+,27-,28-,29?/m1/s1
InChIKeyVVRJQUGFSNMFGY-ZMTYZHHGSA-N
XLogP4.75
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.80
LogP ≤ 54.75
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-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane (CID 71314427) is tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane is CCOC(C)OC1[C@H]2OC(C)(C)O[C@H]2C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane?
The InChIKey is VVRJQUGFSNMFGY-ZMTYZHHGSA-N. The full InChI is InChI=1S/C32H46O7Si/c1-10-33-21(2)34-24-25-27(37-31(6,7)35-25)29(28-26(24)36-32(8,9)38-28)39-40(30(3,4)5,22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-21,24-29H,10H2,1-9H3/t21?,24?,25-,26+,27-,28-,29?/m1/s1.
What are the key properties of tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane?
tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane has a molecular weight of 570.80 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3R,7R,9S)-8-(1-ethoxyethoxy)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-diphenylsilane is sourced from PubChem (CID 71314427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).