[acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate

C12H21NO5Si — CID 22282778

IUPAC[acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate
SMILESC=C(C)C(=O)NCCC[Si](C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H21NO5Si/c1-9(2)12(16)13-7-6-8-19(5,17-10(3)14)18-11(4)15/h1,6-8H2,2-5H3,(H,13,16)
InChIKeyIRZVDYSRJWEHOE-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.27
Rot. Bonds7

About [acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate

[acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate (PubChem CID 22282778) has the molecular formula C12H21NO5Si and a molecular weight of 287.39 g/mol. Its IUPAC name is [acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate
PubChem CID22282778
Molecular FormulaC12H21NO5Si
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name[acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate
SMILESC=C(C)C(=O)NCCC[Si](C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H21NO5Si/c1-9(2)12(16)13-7-6-8-19(5,17-10(3)14)18-11(4)15/h1,6-8H2,2-5H3,(H,13,16)
InChIKeyIRZVDYSRJWEHOE-UHFFFAOYSA-N
XLogP1.27
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate?
The IUPAC name of [acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate (CID 22282778) is [acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate.
What is the SMILES notation for [acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate?
The canonical SMILES for [acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate is C=C(C)C(=O)NCCC[Si](C)(OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate?
The InChIKey is IRZVDYSRJWEHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5Si/c1-9(2)12(16)13-7-6-8-19(5,17-10(3)14)18-11(4)15/h1,6-8H2,2-5H3,(H,13,16).
What are the key properties of [acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate?
[acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate has a molecular weight of 287.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-methyl-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate is sourced from PubChem (CID 22282778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).