(2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one

C23H50O4Si2 — CID 134940447

IUPAC(2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one
SMILESC[C@H](CCC(=O)CCC[C@@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O4Si2/c1-19(26-28(8,9)22(2,3)4)15-16-20(25)13-12-14-21(17-18-24)27-29(10,11)23(5,6)7/h19,21,24H,12-18H2,1-11H3/t19-,21+/m1/s1
InChIKeyUVUVVWMPMBWXLB-CTNGQTDRSA-N
MW446.82 g/mol
LogP6.69
Rot. Bonds13

About (2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one

(2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one (PubChem CID 134940447) has the molecular formula C23H50O4Si2 and a molecular weight of 446.82 g/mol. Its IUPAC name is (2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one.

Molecular Properties

Compound Name(2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one
PubChem CID134940447
Molecular FormulaC23H50O4Si2
Molecular Weight446.82 g/mol
Exact Mass446.32
IUPAC Name(2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one
SMILESC[C@H](CCC(=O)CCC[C@@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O4Si2/c1-19(26-28(8,9)22(2,3)4)15-16-20(25)13-12-14-21(17-18-24)27-29(10,11)23(5,6)7/h19,21,24H,12-18H2,1-11H3/t19-,21+/m1/s1
InChIKeyUVUVVWMPMBWXLB-CTNGQTDRSA-N
XLogP6.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.82
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[Tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one
CID 25111743
(2R,9S)-9,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyundecan-5-one
CID 102319669
(5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one
CID 135037790
(5R,6S)-5,6,7-tris[[tert-butyl(dimethyl)silyl]oxy]heptan-2-one
CID 162397442
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]tridecan-6-one
CID 11201973
2,10-Bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one
CID 11212707
2,11-Bis[[tert-butyl(dimethyl)silyl]oxy]dodecan-6-one
CID 16116694
1-[Tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxynonadecan-4-one
CID 87709027
7-Hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one
CID 88858718
(2S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 91458438
(7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione
CID 139792559
(3R,7R)-3-[tert-butyl(dimethyl)silyl]-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoctanoic acid
CID 173781092

Frequently Asked Questions

What is the IUPAC name of (2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one?
The IUPAC name of (2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one (CID 134940447) is (2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one.
What is the SMILES notation for (2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one?
The canonical SMILES for (2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one is C[C@H](CCC(=O)CCC[C@@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one?
The InChIKey is UVUVVWMPMBWXLB-CTNGQTDRSA-N. The full InChI is InChI=1S/C23H50O4Si2/c1-19(26-28(8,9)22(2,3)4)15-16-20(25)13-12-14-21(17-18-24)27-29(10,11)23(5,6)7/h19,21,24H,12-18H2,1-11H3/t19-,21+/m1/s1.
What are the key properties of (2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one?
(2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one has a molecular weight of 446.82 g/mol, XLogP of 6.69, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one is sourced from PubChem (CID 134940447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).