tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane

C29H52O4Si2 — CID 11156672

IUPACtert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
SMILESCOc1ccc(COC[C@H](C)C[C@@H]2CC=C(C[Si](C)(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2)cc1
InChIInChI=1S/C29H52O4Si2/c1-23(20-31-21-24-11-14-26(30-5)15-12-24)19-27-16-13-25(22-34(6,7)8)28(33-27)17-18-32-35(9,10)29(2,3)4/h11-15,23,27-28H,16-22H2,1-10H3/t23-,27+,28-/m1/s1
InChIKeyWRINPLKXBYCLBZ-KEKPKEOLSA-N
MW520.90 g/mol
LogP8.07
Rot. Bonds13

About tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane (PubChem CID 11156672) has the molecular formula C29H52O4Si2 and a molecular weight of 520.90 g/mol. Its IUPAC name is tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
PubChem CID11156672
Molecular FormulaC29H52O4Si2
Molecular Weight520.90 g/mol
Exact Mass520.34
IUPAC Nametert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
SMILESCOc1ccc(COC[C@H](C)C[C@@H]2CC=C(C[Si](C)(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2)cc1
InChIInChI=1S/C29H52O4Si2/c1-23(20-31-21-24-11-14-26(30-5)15-12-24)19-27-16-13-25(22-34(6,7)8)28(33-27)17-18-32-35(9,10)29(2,3)4/h11-15,23,27-28H,16-22H2,1-10H3/t23-,27+,28-/m1/s1
InChIKeyWRINPLKXBYCLBZ-KEKPKEOLSA-N
XLogP8.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.90
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane (CID 11156672) is tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane is COc1ccc(COC[C@H](C)C[C@@H]2CC=C(C[Si](C)(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2)cc1.
What is the InChIKey of tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane?
The InChIKey is WRINPLKXBYCLBZ-KEKPKEOLSA-N. The full InChI is InChI=1S/C29H52O4Si2/c1-23(20-31-21-24-11-14-26(30-5)15-12-24)19-27-16-13-25(22-34(6,7)8)28(33-27)17-18-32-35(9,10)29(2,3)4/h11-15,23,27-28H,16-22H2,1-10H3/t23-,27+,28-/m1/s1.
What are the key properties of tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane has a molecular weight of 520.90 g/mol, XLogP of 8.07, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-5-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 11156672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).