(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol

C23H44O3Si2 — CID 11235617

IUPAC(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol
SMILESC[C@@H](CC#CC(O)C#CC[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O3Si2/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/h19-21,24H,15-16H2,1-12H3/t19-,20-/m0/s1
InChIKeyAYERWFPDBIYVNK-PMACEKPBSA-N
MW424.77 g/mol
LogP5.95
Rot. Bonds6

About (2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol

(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol (PubChem CID 11235617) has the molecular formula C23H44O3Si2 and a molecular weight of 424.77 g/mol. Its IUPAC name is (2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol.

Molecular Properties

Compound Name(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol
PubChem CID11235617
Molecular FormulaC23H44O3Si2
Molecular Weight424.77 g/mol
Exact Mass424.28
IUPAC Name(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol
SMILESC[C@@H](CC#CC(O)C#CC[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O3Si2/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/h19-21,24H,15-16H2,1-12H3/t19-,20-/m0/s1
InChIKeyAYERWFPDBIYVNK-PMACEKPBSA-N
XLogP5.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.77
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol?
The IUPAC name of (2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol (CID 11235617) is (2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol.
What is the SMILES notation for (2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol?
The canonical SMILES for (2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol is C[C@@H](CC#CC(O)C#CC[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol?
The InChIKey is AYERWFPDBIYVNK-PMACEKPBSA-N. The full InChI is InChI=1S/C23H44O3Si2/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/h19-21,24H,15-16H2,1-12H3/t19-,20-/m0/s1.
What are the key properties of (2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol?
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol has a molecular weight of 424.77 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol is sourced from PubChem (CID 11235617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).