tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate

C14H28O3Si2 — CID 134988476

IUPACtert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
SMILESCC(C)(C)OC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H28O3Si2/c1-14(2,3)17-13(16)12(19(7,8)9)11(10-15)18(4,5)6/h12H,1-9H3
InChIKeyIDRVGCYWICXVKH-UHFFFAOYSA-N
MW300.55 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate

tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate (PubChem CID 134988476) has the molecular formula C14H28O3Si2 and a molecular weight of 300.55 g/mol. Its IUPAC name is tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate.

Molecular Properties

Compound Nametert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
PubChem CID134988476
Molecular FormulaC14H28O3Si2
Molecular Weight300.55 g/mol
Exact Mass300.16
IUPAC Nametert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
SMILESCC(C)(C)OC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H28O3Si2/c1-14(2,3)17-13(16)12(19(7,8)9)11(10-15)18(4,5)6/h12H,1-9H3
InChIKeyIDRVGCYWICXVKH-UHFFFAOYSA-N
XLogP3.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.55
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-2-chloro-2-trimethylsilylacetate
CID 124630222
4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate
CID 10640362
ditert-butyl 2,3-bis(deuterioamino)butanedioate
CID 175944485
ditert-butyl 2-[bis(sulfanyl)methyl]propanedioate
CID 88515400
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate
CID 11622880
2-amino-3-[(2-methylpropan-2-yl)oxy]-4-oxobut-3-enoic acid
CID 174550466
tert-butyl 2-fluoropropanoate
CID 91554233
tert-butyl (2S)-2-bromopropanoate
CID 12882378
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl 2-hydroxy-3-(oxomethylidene)hexanoate
CID 141296821

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The IUPAC name of tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate (CID 134988476) is tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate.
What is the SMILES notation for tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The canonical SMILES for tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate is CC(C)(C)OC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The InChIKey is IDRVGCYWICXVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si2/c1-14(2,3)17-13(16)12(19(7,8)9)11(10-15)18(4,5)6/h12H,1-9H3.
What are the key properties of tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate has a molecular weight of 300.55 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate is sourced from PubChem (CID 134988476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).