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

C22H52O6Si5 — CID 6427786

IUPACtrans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1
InChIInChI=1S/C22H52O6Si5/c1-29(2,3)24-18-16-22(28-33(13,14)15,21(23)27-32(10,11)12)17-19(25-30(4,5)6)20(18)26-31(7,8)9/h18-20H,16-17H2,1-15H3/t18-,19-,20?,22?/m1/s1
InChIKeyDBCLHKSGLLGXOV-NDUMYTTKSA-N
MW553.08 g/mol
LogP6.41
Rot. Bonds10

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

trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate (PubChem CID 6427786) has the molecular formula C22H52O6Si5 and a molecular weight of 553.08 g/mol. Its IUPAC name is trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate
PubChem CID6427786
Molecular FormulaC22H52O6Si5
Molecular Weight553.08 g/mol
Exact Mass552.26
IUPAC Nametrans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1
InChIInChI=1S/C22H52O6Si5/c1-29(2,3)24-18-16-22(28-33(13,14)15,21(23)27-32(10,11)12)17-19(25-30(4,5)6)20(18)26-31(7,8)9/h18-20H,16-17H2,1-15H3/t18-,19-,20?,22?/m1/s1
InChIKeyDBCLHKSGLLGXOV-NDUMYTTKSA-N
XLogP6.41
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 ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
The IUPAC name of trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate (CID 6427786) is trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate.
What is the SMILES notation for trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
The canonical SMILES for trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate is C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1.
What is the InChIKey of trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
The InChIKey is DBCLHKSGLLGXOV-NDUMYTTKSA-N. The full InChI is InChI=1S/C22H52O6Si5/c1-29(2,3)24-18-16-22(28-33(13,14)15,21(23)27-32(10,11)12)17-19(25-30(4,5)6)20(18)26-31(7,8)9/h18-20H,16-17H2,1-15H3/t18-,19-,20?,22?/m1/s1.
What are the key properties of trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate has a molecular weight of 553.08 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-trimethylsilyl (3R,5R)-1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 6427786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).