trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate

C13H27NO3Si2 — CID 5366410

IUPACtrimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate
SMILESC/C=C(\C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H27NO3Si2/c1-9-11(2)13(16)14(18(3,4)5)10-12(15)17-19(6,7)8/h9H,10H2,1-8H3/b11-9+
InChIKeyVUISAWSCGJCPQU-PKNBQFBNSA-N
MW301.53 g/mol
LogP2.99
Rot. Bonds5

About trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate

trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate (PubChem CID 5366410) has the molecular formula C13H27NO3Si2 and a molecular weight of 301.53 g/mol. Its IUPAC name is trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate
PubChem CID5366410
Molecular FormulaC13H27NO3Si2
Molecular Weight301.53 g/mol
Exact Mass301.15
IUPAC Nametrimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate
SMILESC/C=C(\C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H27NO3Si2/c1-9-11(2)13(16)14(18(3,4)5)10-12(15)17-19(6,7)8/h9H,10H2,1-8H3/b11-9+
InChIKeyVUISAWSCGJCPQU-PKNBQFBNSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate?
The IUPAC name of trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate (CID 5366410) is trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate.
What is the SMILES notation for trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate?
The canonical SMILES for trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate is C/C=C(\C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate?
The InChIKey is VUISAWSCGJCPQU-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H27NO3Si2/c1-9-11(2)13(16)14(18(3,4)5)10-12(15)17-19(6,7)8/h9H,10H2,1-8H3/b11-9+.
What are the key properties of trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate?
trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate has a molecular weight of 301.53 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-[[(E)-2-methylbut-2-enoyl]-trimethylsilylamino]acetate is sourced from PubChem (CID 5366410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).