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

C13H21NO7Si — CID 22134288

IUPAC[diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate
SMILESC=C(C)C(=O)NCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C13H21NO7Si/c1-9(2)13(18)14-7-6-8-22(19-10(3)15,20-11(4)16)21-12(5)17/h1,6-8H2,2-5H3,(H,14,18)
InChIKeyOFYLHCGCPHUNNN-UHFFFAOYSA-N
MW331.40 g/mol
LogP0.70
Rot. Bonds8

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

[diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate (PubChem CID 22134288) has the molecular formula C13H21NO7Si and a molecular weight of 331.40 g/mol. Its IUPAC name is [diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate
PubChem CID22134288
Molecular FormulaC13H21NO7Si
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name[diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate
SMILESC=C(C)C(=O)NCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C13H21NO7Si/c1-9(2)13(18)14-7-6-8-22(19-10(3)15,20-11(4)16)21-12(5)17/h1,6-8H2,2-5H3,(H,14,18)
InChIKeyOFYLHCGCPHUNNN-UHFFFAOYSA-N
XLogP0.70
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 [diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate (CID 22134288) is [diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate is C=C(C)C(=O)NCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate?
The InChIKey is OFYLHCGCPHUNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO7Si/c1-9(2)13(18)14-7-6-8-22(19-10(3)15,20-11(4)16)21-12(5)17/h1,6-8H2,2-5H3,(H,14,18).
What are the key properties of [diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate?
[diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate has a molecular weight of 331.40 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[3-(2-methylprop-2-enoylamino)propyl]silyl] acetate is sourced from PubChem (CID 22134288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).