[tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate

C19H39NO3Si2 — CID 134956025

IUPAC[tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate
SMILESC=C(O[Si](C)(C)C(C)(C)C)/C(=C/N(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39NO3Si2/c1-15(22-24(10,11)18(2,3)4)16(14-20(8)9)17(21)23-25(12,13)19(5,6)7/h14H,1H2,2-13H3/b16-14-
InChIKeyQXDHZMGOUAJKHA-PEZBUJJGSA-N
MW385.70 g/mol
LogP5.52
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate

[tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate (PubChem CID 134956025) has the molecular formula C19H39NO3Si2 and a molecular weight of 385.70 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate
PubChem CID134956025
Molecular FormulaC19H39NO3Si2
Molecular Weight385.70 g/mol
Exact Mass385.25
IUPAC Name[tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate
SMILESC=C(O[Si](C)(C)C(C)(C)C)/C(=C/N(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39NO3Si2/c1-15(22-24(10,11)18(2,3)4)16(14-20(8)9)17(21)23-25(12,13)19(5,6)7/h14H,1H2,2-13H3/b16-14-
InChIKeyQXDHZMGOUAJKHA-PEZBUJJGSA-N
XLogP5.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.70
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]oxyiminobut-3-enoic acid
CID 174052416
bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate
CID 91741643
methyl 2-(dimethylaminomethylidene)-3-oxobutanoate
CID 53395488
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate
CID 11036351
[tert-butyl(dimethyl)silyl] propan-2-yl carbonate
CID 155712738
[tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 150663036
2-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 150347977
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] 2-oxooctanoate
CID 91696537
[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
CID 5374163
[tert-butyl(dimethyl)silyl] (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]methanimidate
CID 11823218

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate (CID 134956025) is [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate is C=C(O[Si](C)(C)C(C)(C)C)/C(=C/N(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate?
The InChIKey is QXDHZMGOUAJKHA-PEZBUJJGSA-N. The full InChI is InChI=1S/C19H39NO3Si2/c1-15(22-24(10,11)18(2,3)4)16(14-20(8)9)17(21)23-25(12,13)19(5,6)7/h14H,1H2,2-13H3/b16-14-.
What are the key properties of [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate?
[tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate has a molecular weight of 385.70 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate is sourced from PubChem (CID 134956025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).