trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate

C12H27NO3Si2 — CID 5463671

IUPACtrimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate
SMILESCCCC/C(=N\O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H27NO3Si2/c1-8-9-10-11(13-16-18(5,6)7)12(14)15-17(2,3)4/h8-10H2,1-7H3/b13-11+
InChIKeyBTTUPQZJICJRCZ-ACCUITESSA-N
MW289.52 g/mol
LogP3.76
Rot. Bonds7

About trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate

trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate (PubChem CID 5463671) has the molecular formula C12H27NO3Si2 and a molecular weight of 289.52 g/mol. Its IUPAC name is trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate.

Molecular Properties

Compound Nametrimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate
PubChem CID5463671
Molecular FormulaC12H27NO3Si2
Molecular Weight289.52 g/mol
Exact Mass289.15
IUPAC Nametrimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate
SMILESCCCC/C(=N\O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H27NO3Si2/c1-8-9-10-11(13-16-18(5,6)7)12(14)15-17(2,3)4/h8-10H2,1-7H3/b13-11+
InChIKeyBTTUPQZJICJRCZ-ACCUITESSA-N
XLogP3.76
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

bis(trimethylsilyl) 2-trimethylsilyloxyiminohexanedioate
CID 528740
bis(trimethylsilyl) (2E)-2-trimethylsilyloxyiminopentanedioate
CID 5352677
trimethylsilyl (2Z)-2-methoxyiminopentanoate
CID 5366686
trimethylsilyl 2-phenylmethoxyiminooctanoate
CID 561576
trimethylsilyl (E)-2-propylpent-2-enoate
CID 5352357
trimethylsilyl 2-oxopentanoate
CID 530075
trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate
CID 5372781
trimethylsilyl icosanoate
CID 521648
6-trimethylsilyloxyiminodecanenitrile
CID 140887490
trimethylsilyl (2E)-2-propylpenta-2,4-dienoate
CID 5352354
trimethylsilyl (Z)-2-trimethylsilyloxyoct-2-enoate
CID 5366591
trimethylsilyl (Z)-2-propyl-3-trimethylsilyloxypent-2-enoate
CID 5352358

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate?
The IUPAC name of trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate (CID 5463671) is trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate.
What is the SMILES notation for trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate?
The canonical SMILES for trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate is CCCC/C(=N\O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate?
The InChIKey is BTTUPQZJICJRCZ-ACCUITESSA-N. The full InChI is InChI=1S/C12H27NO3Si2/c1-8-9-10-11(13-16-18(5,6)7)12(14)15-17(2,3)4/h8-10H2,1-7H3/b13-11+.
What are the key properties of trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate?
trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate has a molecular weight of 289.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate is sourced from PubChem (CID 5463671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).