(8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one

C22H48O4Si2 — CID 71764106

IUPAC(8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one
SMILESC[C@H](CCC(=O)CCCCO)[C@H](O[Si](C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O4Si2/c1-18(14-15-20(24)13-11-12-16-23)21(26-27(6,7)8)19(2)17-25-28(9,10)22(3,4)5/h18-19,21,23H,11-17H2,1-10H3/t18-,19-,21+/m1/s1
InChIKeyMXOICRWHEFKFQK-SBHAEUEKSA-N
MW432.79 g/mol
LogP6.01
Rot. Bonds14

About (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one

(8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one (PubChem CID 71764106) has the molecular formula C22H48O4Si2 and a molecular weight of 432.79 g/mol. Its IUPAC name is (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one.

Molecular Properties

Compound Name(8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one
PubChem CID71764106
Molecular FormulaC22H48O4Si2
Molecular Weight432.79 g/mol
Exact Mass432.31
IUPAC Name(8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one
SMILESC[C@H](CCC(=O)CCCCO)[C@H](O[Si](C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O4Si2/c1-18(14-15-20(24)13-11-12-16-23)21(26-27(6,7)8)19(2)17-25-28(9,10)22(3,4)5/h18-19,21,23H,11-17H2,1-10H3/t18-,19-,21+/m1/s1
InChIKeyMXOICRWHEFKFQK-SBHAEUEKSA-N
XLogP6.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one with MolForge

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Launch Full Analysis

Related Compounds

(6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione
CID 11152128
(2S,3S,5R)-2-hexyl-3-hydroxy-5-((triisopropylsilyl)oxy)hexadecanoic acid
CID 11353049
(7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione
CID 11462076
(3S,4S,5S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-3,5,7,9-tetramethyl-4-triethylsilyloxydodecan-6-one
CID 11620544
(5R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,2,6,8-tetramethylnonan-3-one
CID 15202433
(5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,2,6,8-tetramethylnonan-3-one
CID 15202434
(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
CID 15202437
(4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
CID 15202438
(3R,7R,11R,15R)-1,16-Bis(tert-butyldimethylsilyloxy)-11-hydroxy-3,7,11,15-tetramethyl-4-hexadecanone
CID 23727962
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid
CID 24767664
6-[Tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one
CID 25111743
(2S,3S,5S)-2-hexyl-3-hydroxy-5-tri(propan-2-yl)silyloxyhexadecanoic acid
CID 25140052

Frequently Asked Questions

What is the IUPAC name of (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one?
The IUPAC name of (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one (CID 71764106) is (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one.
What is the SMILES notation for (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one?
The canonical SMILES for (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one is C[C@H](CCC(=O)CCCCO)[C@H](O[Si](C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one?
The InChIKey is MXOICRWHEFKFQK-SBHAEUEKSA-N. The full InChI is InChI=1S/C22H48O4Si2/c1-18(14-15-20(24)13-11-12-16-23)21(26-27(6,7)8)19(2)17-25-28(9,10)22(3,4)5/h18-19,21,23H,11-17H2,1-10H3/t18-,19-,21+/m1/s1.
What are the key properties of (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one?
(8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one has a molecular weight of 432.79 g/mol, XLogP of 6.01, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one is sourced from PubChem (CID 71764106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).