trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate

C11H24O2Si2 — CID 2733567

IUPACtrimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate
SMILESCC(=CC(=O)O[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C11H24O2Si2/c1-10(9-14(2,3)4)8-11(12)13-15(5,6)7/h8H,9H2,1-7H3
InChIKeyQCGGJRHSTCBUNL-UHFFFAOYSA-N
MW244.48 g/mol
LogP3.65
Rot. Bonds4

About trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate

trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate (PubChem CID 2733567) has the molecular formula C11H24O2Si2 and a molecular weight of 244.48 g/mol. Its IUPAC name is trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate
PubChem CID2733567
Molecular FormulaC11H24O2Si2
Molecular Weight244.48 g/mol
Exact Mass244.13
IUPAC Nametrimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate
SMILESCC(=CC(=O)O[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C11H24O2Si2/c1-10(9-14(2,3)4)8-11(12)13-15(5,6)7/h8H,9H2,1-7H3
InChIKeyQCGGJRHSTCBUNL-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate?
The IUPAC name of trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate (CID 2733567) is trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate.
What is the SMILES notation for trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate?
The canonical SMILES for trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate is CC(=CC(=O)O[Si](C)(C)C)C[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate?
The InChIKey is QCGGJRHSTCBUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si2/c1-10(9-14(2,3)4)8-11(12)13-15(5,6)7/h8H,9H2,1-7H3.
What are the key properties of trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate?
trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate has a molecular weight of 244.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-methyl-4-trimethylsilylbut-2-enoate is sourced from PubChem (CID 2733567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).