dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate

C35H60N2O6Si2 — CID 155932590

IUPACdimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate
SMILESCC[Si](CC)(CC)OC(CC/C(C)=C/[C@H](C)Cc1ccccc1)CC[C@](O[Si](CC)(CC)CC)(C(=O)OC)C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C35H60N2O6Si2/c1-11-44(12-2,13-3)42-31(23-22-28(7)26-29(8)27-30-20-18-17-19-21-30)24-25-35(34(39)41-10,32(37-36)33(38)40-9)43-45(14-4,15-5)16-6/h17-21,26,29,31H,11-16,22-25,27H2,1-10H3/b28-26+/t29-,31?,35+/m0/s1
InChIKeyYEYZUEKXTJWFRG-UESKLPAHSA-N
MW661.05 g/mol
LogP8.54
Rot. Bonds22

About dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate

dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate (PubChem CID 155932590) has the molecular formula C35H60N2O6Si2 and a molecular weight of 661.05 g/mol. Its IUPAC name is dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate.

Molecular Properties

Compound Namedimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate
PubChem CID155932590
Molecular FormulaC35H60N2O6Si2
Molecular Weight661.05 g/mol
Exact Mass660.40
IUPAC Namedimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate
SMILESCC[Si](CC)(CC)OC(CC/C(C)=C/[C@H](C)Cc1ccccc1)CC[C@](O[Si](CC)(CC)CC)(C(=O)OC)C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C35H60N2O6Si2/c1-11-44(12-2,13-3)42-31(23-22-28(7)26-29(8)27-30-20-18-17-19-21-30)24-25-35(34(39)41-10,32(37-36)33(38)40-9)43-45(14-4,15-5)16-6/h17-21,26,29,31H,11-16,22-25,27H2,1-10H3/b28-26+/t29-,31?,35+/m0/s1
InChIKeyYEYZUEKXTJWFRG-UESKLPAHSA-N
XLogP8.54
TPSA107.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.05
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate?
The IUPAC name of dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate (CID 155932590) is dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate.
What is the SMILES notation for dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate?
The canonical SMILES for dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate is CC[Si](CC)(CC)OC(CC/C(C)=C/[C@H](C)Cc1ccccc1)CC[C@](O[Si](CC)(CC)CC)(C(=O)OC)C(=[N+]=[N-])C(=O)OC.
What is the InChIKey of dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate?
The InChIKey is YEYZUEKXTJWFRG-UESKLPAHSA-N. The full InChI is InChI=1S/C35H60N2O6Si2/c1-11-44(12-2,13-3)42-31(23-22-28(7)26-29(8)27-30-20-18-17-19-21-30)24-25-35(34(39)41-10,32(37-36)33(38)40-9)43-45(14-4,15-5)16-6/h17-21,26,29,31H,11-16,22-25,27H2,1-10H3/b28-26+/t29-,31?,35+/m0/s1.
What are the key properties of dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate?
dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate has a molecular weight of 661.05 g/mol, XLogP of 8.54, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-3-diazo-2-[(E,8R)-6,8-dimethyl-9-phenyl-3-triethylsilyloxynon-6-enyl]-2-triethylsilyloxybutanedioate is sourced from PubChem (CID 155932590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).