bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate

C18H36N2O6Si2 — CID 5366431

IUPACbis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate
SMILESCCO/N=C(\CCC(=O)O[Si](C)(C)C)C/C(CC(=O)O[Si](C)(C)C)=N\OCC
InChIInChI=1S/C18H36N2O6Si2/c1-9-23-19-15(11-12-17(21)25-27(3,4)5)13-16(20-24-10-2)14-18(22)26-28(6,7)8/h9-14H2,1-8H3/b19-15+,20-16+
InChIKeyREECDQHAAFAXPR-MXWIWYRXSA-N
MW432.67 g/mol
LogP4.09
Rot. Bonds13

About bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate

bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate (PubChem CID 5366431) has the molecular formula C18H36N2O6Si2 and a molecular weight of 432.67 g/mol. Its IUPAC name is bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate
PubChem CID5366431
Molecular FormulaC18H36N2O6Si2
Molecular Weight432.67 g/mol
Exact Mass432.21
IUPAC Namebis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate
SMILESCCO/N=C(\CCC(=O)O[Si](C)(C)C)C/C(CC(=O)O[Si](C)(C)C)=N\OCC
InChIInChI=1S/C18H36N2O6Si2/c1-9-23-19-15(11-12-17(21)25-27(3,4)5)13-16(20-24-10-2)14-18(22)26-28(6,7)8/h9-14H2,1-8H3/b19-15+,20-16+
InChIKeyREECDQHAAFAXPR-MXWIWYRXSA-N
XLogP4.09
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.67
LogP ≤ 54.09
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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Related Compounds

trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate
CID 91699647
bis(trimethylsilyl) (2E)-2-trimethylsilyloxyiminopentanedioate
CID 5352677
bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100
trimethylsilyl icosanoate
CID 521648
trimethylsilyl 4-oxo-5-(trimethylsilylamino)pentanoate
CID 568353
1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate
CID 552478
trimethylsilyl (E)-8-oxooct-4-enoate
CID 23261458
trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 91727584
trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate
CID 5372781
bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate
CID 6421159
ethyl 4-trimethylsilyloxypent-4-enoate
CID 13353135
trimethylsilyl 3-trimethylsilylsulfanylpropanoate
CID 637748

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate?
The IUPAC name of bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate (CID 5366431) is bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate.
What is the SMILES notation for bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate?
The canonical SMILES for bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate is CCO/N=C(\CCC(=O)O[Si](C)(C)C)C/C(CC(=O)O[Si](C)(C)C)=N\OCC.
What is the InChIKey of bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate?
The InChIKey is REECDQHAAFAXPR-MXWIWYRXSA-N. The full InChI is InChI=1S/C18H36N2O6Si2/c1-9-23-19-15(11-12-17(21)25-27(3,4)5)13-16(20-24-10-2)14-18(22)26-28(6,7)8/h9-14H2,1-8H3/b19-15+,20-16+.
What are the key properties of bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate?
bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate has a molecular weight of 432.67 g/mol, XLogP of 4.09, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate is sourced from PubChem (CID 5366431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).