trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate

C22H53NO7Si5 — CID 91753465

IUPACtrimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
SMILESCON=C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C22H53NO7Si5/c1-25-23-17-18(26-31(2,3)4)19(27-32(5,6)7)20(28-33(8,9)10)21(29-34(11,12)13)22(24)30-35(14,15)16/h17-21H,1-16H3/t18-,19-,20+,21-/m1/s1
InChIKeyFKLGHFYFJKVJFQ-MXEMCNAFSA-N
MW584.10 g/mol
LogP5.88
Rot. Bonds15

About trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate

trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate (PubChem CID 91753465) has the molecular formula C22H53NO7Si5 and a molecular weight of 584.10 g/mol. Its IUPAC name is trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
PubChem CID91753465
Molecular FormulaC22H53NO7Si5
Molecular Weight584.10 g/mol
Exact Mass583.27
IUPAC Nametrimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
SMILESCON=C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C22H53NO7Si5/c1-25-23-17-18(26-31(2,3)4)19(27-32(5,6)7)20(28-33(8,9)10)21(29-34(11,12)13)22(24)30-35(14,15)16/h17-21H,1-16H3/t18-,19-,20+,21-/m1/s1
InChIKeyFKLGHFYFJKVJFQ-MXEMCNAFSA-N
XLogP5.88
TPSA84.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.10
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The IUPAC name of trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate (CID 91753465) is trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate.
What is the SMILES notation for trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The canonical SMILES for trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate is CON=C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The InChIKey is FKLGHFYFJKVJFQ-MXEMCNAFSA-N. The full InChI is InChI=1S/C22H53NO7Si5/c1-25-23-17-18(26-31(2,3)4)19(27-32(5,6)7)20(28-33(8,9)10)21(29-34(11,12)13)22(24)30-35(14,15)16/h17-21H,1-16H3/t18-,19-,20+,21-/m1/s1.
What are the key properties of trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate has a molecular weight of 584.10 g/mol, XLogP of 5.88, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate is sourced from PubChem (CID 91753465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).