diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate

C18H33NO6Si — CID 25214922

IUPACdiethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate
SMILESCCOC(=O)C(=CC(=O)N(C)CCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C18H33NO6Si/c1-9-23-16(21)14(17(22)24-10-2)13-15(20)19(6)11-12-25-26(7,8)18(3,4)5/h13H,9-12H2,1-8H3
InChIKeyIIEAOWLUSSWXFR-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.52
Rot. Bonds9

About diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate

diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate (PubChem CID 25214922) has the molecular formula C18H33NO6Si and a molecular weight of 387.55 g/mol. Its IUPAC name is diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate
PubChem CID25214922
Molecular FormulaC18H33NO6Si
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Namediethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate
SMILESCCOC(=O)C(=CC(=O)N(C)CCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C18H33NO6Si/c1-9-23-16(21)14(17(22)24-10-2)13-15(20)19(6)11-12-25-26(7,8)18(3,4)5/h13H,9-12H2,1-8H3
InChIKeyIIEAOWLUSSWXFR-UHFFFAOYSA-N
XLogP2.52
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloroacetamide
CID 15287415
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
CID 164815617
3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid
CID 87451074
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pent-2-enoate
CID 42643343
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-3-trimethylstannylhex-2-enamide
CID 139263783
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetic acid
CID 18751403
diethyl 2-[[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroanilino]methylidene]propanedioate
CID 139604275
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate
CID 10660119
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide
CID 174087673
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate
CID 57115648

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate?
The IUPAC name of diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate (CID 25214922) is diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate.
What is the SMILES notation for diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate?
The canonical SMILES for diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate is CCOC(=O)C(=CC(=O)N(C)CCO[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate?
The InChIKey is IIEAOWLUSSWXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO6Si/c1-9-23-16(21)14(17(22)24-10-2)13-15(20)19(6)11-12-25-26(7,8)18(3,4)5/h13H,9-12H2,1-8H3.
What are the key properties of diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate?
diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate has a molecular weight of 387.55 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-oxoethylidene]propanedioate is sourced from PubChem (CID 25214922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).