(2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one

C21H50O6Si5 — CID 101278637

IUPAC(2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one
SMILESC[Si](C)(C)OC1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C21H50O6Si5/c1-28(2,3)23-17-16(22)18(24-29(4,5)6)20(26-31(10,11)12)21(27-32(13,14)15)19(17)25-30(7,8)9/h17-21H,1-15H3/t17-,18+,19+,20-,21?
InChIKeyOLRWVZHFIDYBKN-AUNWOLQUSA-N
MW539.06 g/mol
LogP5.67
Rot. Bonds10

About (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one

(2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one (PubChem CID 101278637) has the molecular formula C21H50O6Si5 and a molecular weight of 539.06 g/mol. Its IUPAC name is (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one.

Molecular Properties

Compound Name(2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one
PubChem CID101278637
Molecular FormulaC21H50O6Si5
Molecular Weight539.06 g/mol
Exact Mass538.25
IUPAC Name(2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one
SMILESC[Si](C)(C)OC1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C21H50O6Si5/c1-28(2,3)23-17-16(22)18(24-29(4,5)6)20(26-31(10,11)12)21(27-32(13,14)15)19(17)25-30(7,8)9/h17-21H,1-15H3/t17-,18+,19+,20-,21?
InChIKeyOLRWVZHFIDYBKN-AUNWOLQUSA-N
XLogP5.67
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.06
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one with MolForge

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Related Compounds

D-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 522260
D-Fructose, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 519639
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one
CID 10003725
1-O,3-O,4-O,5-O,6-O-Pentakis(trimethylsilyl)-D-fructose
CID 14367659
(2S,3S,4R,5R)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 15695113
Galactonic acid, hexakis-TMS
CID 523309
1,6-Bis(trimethylsilyl) 2-deoxy-3,4,5-tris-O-(trimethylsilyl)arabino-hexarate
CID 523330
6-Deoxygalactonic acid, pentakis-TMS
CID 523378
6-Deoxymannonic acid, pentakis-TMS
CID 523380
Allonic acid, hexakis-TMS
CID 523383
Altronic acid, hexakis-TMS
CID 523385
Gulonic acid, hexakis-TMS
CID 523401

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one?
The IUPAC name of (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one (CID 101278637) is (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one.
What is the SMILES notation for (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one?
The canonical SMILES for (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one is C[Si](C)(C)OC1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one?
The InChIKey is OLRWVZHFIDYBKN-AUNWOLQUSA-N. The full InChI is InChI=1S/C21H50O6Si5/c1-28(2,3)23-17-16(22)18(24-29(4,5)6)20(26-31(10,11)12)21(27-32(13,14)15)19(17)25-30(7,8)9/h17-21H,1-15H3/t17-,18+,19+,20-,21?.
What are the key properties of (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one?
(2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one has a molecular weight of 539.06 g/mol, XLogP of 5.67, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S,6R)-2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexan-1-one is sourced from PubChem (CID 101278637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).