(8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one

C21H46O3Si2 — CID 11373045

IUPAC(8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one
SMILESC[C@@H](CCC(=O)CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O3Si2/c1-18(24-26(10,11)21(5,6)7)15-16-19(22)14-12-13-17-23-25(8,9)20(2,3)4/h18H,12-17H2,1-11H3/t18-/m0/s1
InChIKeyYOLPHDJMPFPTGB-SFHVURJKSA-N
MW402.77 g/mol
LogP6.94
Rot. Bonds11

About (8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one

(8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one (PubChem CID 11373045) has the molecular formula C21H46O3Si2 and a molecular weight of 402.77 g/mol. Its IUPAC name is (8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one.

Molecular Properties

Compound Name(8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one
PubChem CID11373045
Molecular FormulaC21H46O3Si2
Molecular Weight402.77 g/mol
Exact Mass402.30
IUPAC Name(8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one
SMILESC[C@@H](CCC(=O)CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O3Si2/c1-18(24-26(10,11)21(5,6)7)15-16-19(22)14-12-13-17-23-25(8,9)20(2,3)4/h18H,12-17H2,1-11H3/t18-/m0/s1
InChIKeyYOLPHDJMPFPTGB-SFHVURJKSA-N
XLogP6.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 56.94
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'}

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Related Compounds

(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
CID 10244268
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
16-Triethylsilyloxyhexadecan-2-one
CID 86010278
(8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one
CID 134838241
(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 135039894
(5R,6S)-5,6,7-tris[[tert-butyl(dimethyl)silyl]oxy]heptan-2-one
CID 162397442
7-Tri(propan-2-yl)silyloxyheptane-3,4-dione
CID 10881140
(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
1,8-Bis[tri(propan-2-yl)silyloxy]octane-4,5-dione
CID 15500761
2,11-Bis[[tert-butyl(dimethyl)silyl]oxy]dodec-4-yn-6-one
CID 16116684
2,11-Bis[[tert-butyl(dimethyl)silyl]oxy]tridec-4-yn-6-one
CID 16116685

Frequently Asked Questions

What is the IUPAC name of (8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one?
The IUPAC name of (8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one (CID 11373045) is (8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one.
What is the SMILES notation for (8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one?
The canonical SMILES for (8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one is C[C@@H](CCC(=O)CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one?
The InChIKey is YOLPHDJMPFPTGB-SFHVURJKSA-N. The full InChI is InChI=1S/C21H46O3Si2/c1-18(24-26(10,11)21(5,6)7)15-16-19(22)14-12-13-17-23-25(8,9)20(2,3)4/h18H,12-17H2,1-11H3/t18-/m0/s1.
What are the key properties of (8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one?
(8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one has a molecular weight of 402.77 g/mol, XLogP of 6.94, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]nonan-5-one is sourced from PubChem (CID 11373045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).