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

C36H56O6Si2 — CID 16750622

IUPAC6-[(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
SMILESC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C36H56O6Si2/c1-26(25-39-44(35(6,7)8,29-19-15-13-16-20-29)30-21-17-14-18-22-30)33(42-43(11,12)34(3,4)5)27(2)31(37)23-28-24-32(38)41-36(9,10)40-28/h13-22,24,26-27,31,33,37H,23,25H2,1-12H3/t26-,27-,31+,33+/m0/s1
InChIKeyVUAQJDGBLPETGN-HYQQJROOSA-N
MW641.01 g/mol
LogP7.17
Rot. Bonds12

About 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

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 (PubChem CID 16750622) has the molecular formula C36H56O6Si2 and a molecular weight of 641.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID16750622
Molecular FormulaC36H56O6Si2
Molecular Weight641.01 g/mol
Exact Mass640.36
IUPAC Name6-[(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
SMILESC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C36H56O6Si2/c1-26(25-39-44(35(6,7)8,29-19-15-13-16-20-29)30-21-17-14-18-22-30)33(42-43(11,12)34(3,4)5)27(2)31(37)23-28-24-32(38)41-36(9,10)40-28/h13-22,24,26-27,31,33,37H,23,25H2,1-12H3/t26-,27-,31+,33+/m0/s1
InChIKeyVUAQJDGBLPETGN-HYQQJROOSA-N
XLogP7.17
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.01
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 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
(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
(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
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 6710162
6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134931361
(E,2S,3S,4R,7R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethyldodec-5-ene-3,7-diol
CID 102465380
(4R)-4-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 164670630
6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one
CID 15327231
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CC1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 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?
The InChIKey is VUAQJDGBLPETGN-HYQQJROOSA-N. The full InChI is InChI=1S/C36H56O6Si2/c1-26(25-39-44(35(6,7)8,29-19-15-13-16-20-29)30-21-17-14-18-22-30)33(42-43(11,12)34(3,4)5)27(2)31(37)23-28-24-32(38)41-36(9,10)40-28/h13-22,24,26-27,31,33,37H,23,25H2,1-12H3/t26-,27-,31+,33+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 641.01 g/mol, XLogP of 7.17, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 16750622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).