(5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one

C43H76O5Si3 — CID 23246877

IUPAC(5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)[C@H](O)CC(=O)C(C)C
InChIInChI=1S/C43H76O5Si3/c1-17-50(18-2,19-3)48-41(34(7)39(45)30-38(44)32(4)5)35(8)40(47-49(15,16)42(9,10)11)33(6)31-46-51(43(12,13)14,36-26-22-20-23-27-36)37-28-24-21-25-29-37/h20-29,32-35,39-41,45H,17-19,30-31H2,1-16H3/t33-,34+,35+,39-,40+,41-/m1/s1
InChIKeyINSKSTUEFBFFPP-JVMCKFPKSA-N
MW757.33 g/mol
LogP10.23
Rot. Bonds20

About (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one

(5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one (PubChem CID 23246877) has the molecular formula C43H76O5Si3 and a molecular weight of 757.33 g/mol. Its IUPAC name is (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one.

Molecular Properties

Compound Name(5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one
PubChem CID23246877
Molecular FormulaC43H76O5Si3
Molecular Weight757.33 g/mol
Exact Mass756.50
IUPAC Name(5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)[C@H](O)CC(=O)C(C)C
InChIInChI=1S/C43H76O5Si3/c1-17-50(18-2,19-3)48-41(34(7)39(45)30-38(44)32(4)5)35(8)40(47-49(15,16)42(9,10)11)33(6)31-46-51(43(12,13)14,36-26-22-20-23-27-36)37-28-24-21-25-29-37/h20-29,32-35,39-41,45H,17-19,30-31H2,1-16H3/t33-,34+,35+,39-,40+,41-/m1/s1
InChIKeyINSKSTUEFBFFPP-JVMCKFPKSA-N
XLogP10.23
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.33
LogP ≤ 510.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one with MolForge

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Related Compounds

(3R,4R,5S,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-3,5,7-trimethyloct-1-en-4-ol
CID 101106261
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 23248208
6-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5-dimethylhexyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 16750622
(4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-5-triethylsilyloxyheptan-1-ol
CID 54753539
(E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol
CID 57387274
(2R,5R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-6-methyl-2-phenylmethoxyheptan-3-one
CID 102309188
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
CID 162404498
ethyl (2E,4E,6E,8E,11S,12S)-11-[tert-butyl(dimethyl)silyl]oxy-13-[tert-butyl(diphenyl)silyl]oxy-12-methyltrideca-2,4,6,8-tetraenoate
CID 101352563
(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one
CID 101412599
ethyl (2R,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101265935
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268

Frequently Asked Questions

What is the IUPAC name of (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one?
The IUPAC name of (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one (CID 23246877) is (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one.
What is the SMILES notation for (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one?
The canonical SMILES for (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one is CC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)[C@H](O)CC(=O)C(C)C.
What is the InChIKey of (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one?
The InChIKey is INSKSTUEFBFFPP-JVMCKFPKSA-N. The full InChI is InChI=1S/C43H76O5Si3/c1-17-50(18-2,19-3)48-41(34(7)39(45)30-38(44)32(4)5)35(8)40(47-49(15,16)42(9,10)11)33(6)31-46-51(43(12,13)14,36-26-22-20-23-27-36)37-28-24-21-25-29-37/h20-29,32-35,39-41,45H,17-19,30-31H2,1-16H3/t33-,34+,35+,39-,40+,41-/m1/s1.
What are the key properties of (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one?
(5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one has a molecular weight of 757.33 g/mol, XLogP of 10.23, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7R,8S,9S,10R)-9-[tert-butyl(dimethyl)silyl]oxy-11-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-2,6,8,10-tetramethyl-7-triethylsilyloxyundecan-3-one is sourced from PubChem (CID 23246877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).