propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate

C13H26O3Si2 — CID 14979605

IUPACpropan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
SMILESCC(C)OC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H26O3Si2/c1-10(2)16-13(15)12(18(6,7)8)11(9-14)17(3,4)5/h10,12H,1-8H3
InChIKeyKACLLWHYSMHGQT-UHFFFAOYSA-N
MW286.52 g/mol
LogP3.28
Rot. Bonds5

About propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate

propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate (PubChem CID 14979605) has the molecular formula C13H26O3Si2 and a molecular weight of 286.52 g/mol. Its IUPAC name is propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate.

Molecular Properties

Compound Namepropan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
PubChem CID14979605
Molecular FormulaC13H26O3Si2
Molecular Weight286.52 g/mol
Exact Mass286.14
IUPAC Namepropan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
SMILESCC(C)OC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H26O3Si2/c1-10(2)16-13(15)12(18(6,7)8)11(9-14)17(3,4)5/h10,12H,1-8H3
InChIKeyKACLLWHYSMHGQT-UHFFFAOYSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.52
LogP ≤ 53.28
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

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 11794939
Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
Ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979602
Ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate
CID 10945060
Ethyl 5-trimethylsilylhexa-3,4-dienoate
CID 14691754
Methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979604
Ethyl 3-trimethylsilylpenta-3,4-dienoate
CID 85804147
Tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 134988476
ethyl (E)-2,4-bis(trimethylsilyl)but-3-enoate
CID 145865777
CID 22971903
CID 22971903
2-Trimethylsilylethyl 4-oxobut-3-enoate
CID 57154497
3-Trimethylsilylbut-3-enyl acetate
CID 10442441

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The IUPAC name of propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate (CID 14979605) is propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate.
What is the SMILES notation for propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The canonical SMILES for propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate is CC(C)OC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The InChIKey is KACLLWHYSMHGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si2/c1-10(2)16-13(15)12(18(6,7)8)11(9-14)17(3,4)5/h10,12H,1-8H3.
What are the key properties of propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate has a molecular weight of 286.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate is sourced from PubChem (CID 14979605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).