(8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one

C22H48O3Si2 — CID 134838241

IUPAC(8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one
SMILESCC(=O)CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-18(23)16-14-13-15-17-20(25-27(11,12)22(6,7)8)19(2)24-26(9,10)21(3,4)5/h19-20H,13-17H2,1-12H3/t19-,20+/m0/s1
InChIKeyCEYIPMVRISHVAS-VQTJNVASSA-N
MW416.80 g/mol
LogP7.33
Rot. Bonds11

About (8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one

(8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one (PubChem CID 134838241) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is (8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one.

Molecular Properties

Compound Name(8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one
PubChem CID134838241
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name(8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one
SMILESCC(=O)CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-18(23)16-14-13-15-17-20(25-27(11,12)22(6,7)8)19(2)24-26(9,10)21(3,4)5/h19-20H,13-17H2,1-12H3/t19-,20+/m0/s1
InChIKeyCEYIPMVRISHVAS-VQTJNVASSA-N
XLogP7.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 57.33
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

(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
11-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526770
9-Hydroxy-stearic acid, methyl ester, tBDMS ether
CID 526774
8-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526784
Octadecanoic acid, 12-(trimethylsiloxy)-, trimethylsilyl ester
CID 553334
2-Hydroxyoctanoic acid, 2TBDMS derivative
CID 91719363
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
CID 10244268
(3R)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 10803167
10-t-Butyldimethylsiloxydecanal
CID 11426202
(2R)-2-[tert-butyl(dimethyl)silyl]oxytetradecanal
CID 11772259

Frequently Asked Questions

What is the IUPAC name of (8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one?
The IUPAC name of (8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one (CID 134838241) is (8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one.
What is the SMILES notation for (8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one?
The canonical SMILES for (8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one is CC(=O)CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one?
The InChIKey is CEYIPMVRISHVAS-VQTJNVASSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-18(23)16-14-13-15-17-20(25-27(11,12)22(6,7)8)19(2)24-26(9,10)21(3,4)5/h19-20H,13-17H2,1-12H3/t19-,20+/m0/s1.
What are the key properties of (8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one?
(8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one has a molecular weight of 416.80 g/mol, XLogP of 7.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one is sourced from PubChem (CID 134838241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).