2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one

C23H50O3Si2 — CID 11212707

IUPAC2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one
SMILES[2H]C([2H])(CC(C)O[Si](C)(C)C(C)(C)C)C([2H])([2H])C(=O)CCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O3Si2/c1-19(25-27(9,10)22(3,4)5)15-13-17-21(24)18-14-16-20(2)26-28(11,12)23(6,7)8/h19-20H,13-18H2,1-12H3/i13D2,17D2
InChIKeyJOAZKYPDDWTAGI-VYEBJOFOSA-N
MW434.85 g/mol
LogP7.72
Rot. Bonds12

About 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one

2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one (PubChem CID 11212707) has the molecular formula C23H50O3Si2 and a molecular weight of 434.85 g/mol. Its IUPAC name is 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one.

Molecular Properties

Compound Name2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one
PubChem CID11212707
Molecular FormulaC23H50O3Si2
Molecular Weight434.85 g/mol
Exact Mass434.35
IUPAC Name2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one
SMILES[2H]C([2H])(CC(C)O[Si](C)(C)C(C)(C)C)C([2H])([2H])C(=O)CCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O3Si2/c1-19(25-27(9,10)22(3,4)5)15-13-17-21(24)18-14-16-20(2)26-28(11,12)23(6,7)8/h19-20H,13-18H2,1-12H3/i13D2,17D2
InChIKeyJOAZKYPDDWTAGI-VYEBJOFOSA-N
XLogP7.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.85
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one?
The IUPAC name of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one (CID 11212707) is 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one.
What is the SMILES notation for 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one?
The canonical SMILES for 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one is [2H]C([2H])(CC(C)O[Si](C)(C)C(C)(C)C)C([2H])([2H])C(=O)CCCC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one?
The InChIKey is JOAZKYPDDWTAGI-VYEBJOFOSA-N. The full InChI is InChI=1S/C23H50O3Si2/c1-19(25-27(9,10)22(3,4)5)15-13-17-21(24)18-14-16-20(2)26-28(11,12)23(6,7)8/h19-20H,13-18H2,1-12H3/i13D2,17D2.
What are the key properties of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one?
2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one has a molecular weight of 434.85 g/mol, XLogP of 7.72, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one is sourced from PubChem (CID 11212707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).