bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate

C12H28O4Si3 — CID 123764813

IUPACbis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate
SMILESCC(=CC[SiH3])C(=O)OC(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H28O4Si3/c1-10(8-9-17)11(13)14-12(15-18(2,3)4)16-19(5,6)7/h8,12H,9H2,1-7,17H3
InChIKeyTZBUBSFEXOMMII-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.25
Rot. Bonds7

About bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate

bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate (PubChem CID 123764813) has the molecular formula C12H28O4Si3 and a molecular weight of 320.61 g/mol. Its IUPAC name is bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate.

Molecular Properties

Compound Namebis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate
PubChem CID123764813
Molecular FormulaC12H28O4Si3
Molecular Weight320.61 g/mol
Exact Mass320.13
IUPAC Namebis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate
SMILESCC(=CC[SiH3])C(=O)OC(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H28O4Si3/c1-10(8-9-17)11(13)14-12(15-18(2,3)4)16-19(5,6)7/h8,12H,9H2,1-7,17H3
InChIKeyTZBUBSFEXOMMII-UHFFFAOYSA-N
XLogP2.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate?
The IUPAC name of bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate (CID 123764813) is bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate.
What is the SMILES notation for bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate?
The canonical SMILES for bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate is CC(=CC[SiH3])C(=O)OC(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate?
The InChIKey is TZBUBSFEXOMMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O4Si3/c1-10(8-9-17)11(13)14-12(15-18(2,3)4)16-19(5,6)7/h8,12H,9H2,1-7,17H3.
What are the key properties of bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate?
bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate has a molecular weight of 320.61 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate is sourced from PubChem (CID 123764813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).