5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one

C26H50O3Si3 — CID 11990076

IUPAC5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one
SMILESCC(C)(C)[Si](C)(C)OCCCC#CC(=O)C(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H50O3Si3/c1-25(2,3)31(10,11)28-21-17-14-15-19-23(27)24(20-16-18-22-30(7,8)9)29-32(12,13)26(4,5)6/h24H,14,16-17,20-21H2,1-13H3
InChIKeyUEQFDUXJEATZKB-UHFFFAOYSA-N
MW494.94 g/mol
LogP7.41
Rot. Bonds9

About 5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one

5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one (PubChem CID 11990076) has the molecular formula C26H50O3Si3 and a molecular weight of 494.94 g/mol. Its IUPAC name is 5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one.

Molecular Properties

Compound Name5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one
PubChem CID11990076
Molecular FormulaC26H50O3Si3
Molecular Weight494.94 g/mol
Exact Mass494.31
IUPAC Name5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one
SMILESCC(C)(C)[Si](C)(C)OCCCC#CC(=O)C(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H50O3Si3/c1-25(2,3)31(10,11)28-21-17-14-15-19-23(27)24(20-16-18-22-30(7,8)9)29-32(12,13)26(4,5)6/h24H,14,16-17,20-21H2,1-13H3
InChIKeyUEQFDUXJEATZKB-UHFFFAOYSA-N
XLogP7.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.94
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxyhexan-2-one
CID 21195366
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11339911
(5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-yn-2-one
CID 139263617
(2S)-2,11-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 16116371
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
CID 18653741
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-3,5,10,12-tetrayn-7-one
CID 89717141
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-4,6,11,13-tetrayn-8-one
CID 89717142
(3S)-3-[tert-butyl(dimethyl)silyl]oxynon-7-yn-2-one
CID 90886218
(2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-one
CID 10893997
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11751320
(8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydodec-6-yn-5-one
CID 46894186
7-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-one
CID 101417304

Frequently Asked Questions

What is the IUPAC name of 5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one?
The IUPAC name of 5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one (CID 11990076) is 5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one.
What is the SMILES notation for 5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one?
The canonical SMILES for 5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one is CC(C)(C)[Si](C)(C)OCCCC#CC(=O)C(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one?
The InChIKey is UEQFDUXJEATZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O3Si3/c1-25(2,3)31(10,11)28-21-17-14-15-19-23(27)24(20-16-18-22-30(7,8)9)29-32(12,13)26(4,5)6/h24H,14,16-17,20-21H2,1-13H3.
What are the key properties of 5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one?
5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one has a molecular weight of 494.94 g/mol, XLogP of 7.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylundeca-1,7-diyn-6-one is sourced from PubChem (CID 11990076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).