[diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate

C14H23NO7Si — CID 22282770

IUPAC[diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate
SMILESC=C(C)C(=O)NCCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H23NO7Si/c1-10(2)14(19)15-8-6-7-9-23(20-11(3)16,21-12(4)17)22-13(5)18/h1,6-9H2,2-5H3,(H,15,19)
InChIKeyWXZWYDZKXCAGNW-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.09
Rot. Bonds9

About [diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate

[diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate (PubChem CID 22282770) has the molecular formula C14H23NO7Si and a molecular weight of 345.42 g/mol. Its IUPAC name is [diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate
PubChem CID22282770
Molecular FormulaC14H23NO7Si
Molecular Weight345.42 g/mol
Exact Mass345.12
IUPAC Name[diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate
SMILESC=C(C)C(=O)NCCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H23NO7Si/c1-10(2)14(19)15-8-6-7-9-23(20-11(3)16,21-12(4)17)22-13(5)18/h1,6-9H2,2-5H3,(H,15,19)
InChIKeyWXZWYDZKXCAGNW-UHFFFAOYSA-N
XLogP1.09
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.09
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-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate (CID 22282770) is [diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate is C=C(C)C(=O)NCCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate?
The InChIKey is WXZWYDZKXCAGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO7Si/c1-10(2)14(19)15-8-6-7-9-23(20-11(3)16,21-12(4)17)22-13(5)18/h1,6-9H2,2-5H3,(H,15,19).
What are the key properties of [diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate?
[diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate has a molecular weight of 345.42 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[4-(2-methylprop-2-enoylamino)butyl]silyl] acetate is sourced from PubChem (CID 22282770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).