trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate

C22H52O6Si5 — CID 91753759

IUPACtrimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C22H52O6Si5/c1-29(2,3)24-18-16-17(22(23)28-33(13,14)15)19(25-30(4,5)6)21(27-32(10,11)12)20(18)26-31(7,8)9/h17-21H,16H2,1-15H3
InChIKeyAALOLBHYVWVIDI-UHFFFAOYSA-N
MW553.08 g/mol
LogP6.26
Rot. Bonds10

About trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate

trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate (PubChem CID 91753759) has the molecular formula C22H52O6Si5 and a molecular weight of 553.08 g/mol. Its IUPAC name is trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate
PubChem CID91753759
Molecular FormulaC22H52O6Si5
Molecular Weight553.08 g/mol
Exact Mass552.26
IUPAC Nametrimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C22H52O6Si5/c1-29(2,3)24-18-16-17(22(23)28-33(13,14)15)19(25-30(4,5)6)21(27-32(10,11)12)20(18)26-31(7,8)9/h17-21H,16H2,1-15H3
InChIKeyAALOLBHYVWVIDI-UHFFFAOYSA-N
XLogP6.26
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.08
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Quininic acid (5TMS)
CID 525046
(1S,2S,3R,4S,5R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-triethylsilyloxy-6-oxabicyclo[3.2.1]octan-7-one
CID 11827413
[(1S,2R,3R,4S)-4-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl] acetate
CID 101576191
[(1S,2R,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formyl-3-methoxycyclohexyl] acetate
CID 134836940
Quinic acid, TMS
CID 6427786
Methyl 1,3,4,5-tetrakis[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 631359
4-Acetoxy-3,5-bis(tert-butyldimethylsilyloxy)-2-hydroxymethylcyclohexanone
CID 19010980
methyl (3aR,4R,6S,7S,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4-carboxylate
CID 46188176
methyl (3aR,4R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4-carboxylate
CID 174141700
(1S,2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-triethylsilyloxy-6-oxabicyclo[3.2.1]octan-7-one
CID 10601965
(1S,2R,3R,4S,5R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-triethylsilyloxy-6-oxabicyclo[3.2.1]octan-7-one
CID 10984123
(1R,2S,3R,4S,5S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-triethylsilyloxy-6-oxabicyclo[3.2.1]octan-7-one
CID 11081866

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
The IUPAC name of trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate (CID 91753759) is trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate.
What is the SMILES notation for trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
The canonical SMILES for trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate is C[Si](C)(C)OC(=O)C1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
The InChIKey is AALOLBHYVWVIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52O6Si5/c1-29(2,3)24-18-16-17(22(23)28-33(13,14)15)19(25-30(4,5)6)21(27-32(10,11)12)20(18)26-31(7,8)9/h17-21H,16H2,1-15H3.
What are the key properties of trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate has a molecular weight of 553.08 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 91753759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).