[diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate

C16H31N3O6Si — CID 71342432

IUPAC[diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate
SMILESCCN(CC)/C(=N/CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O)N(C)C
InChIInChI=1S/C16H31N3O6Si/c1-8-19(9-2)16(18(6)7)17-11-10-12-26(23-13(3)20,24-14(4)21)25-15(5)22/h8-12H2,1-7H3/b17-16+
InChIKeyXEPLSGRXPQQFPC-WUKNDPDISA-N
MW389.53 g/mol
LogP1.26
Rot. Bonds9

About [diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate

[diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate (PubChem CID 71342432) has the molecular formula C16H31N3O6Si and a molecular weight of 389.53 g/mol. Its IUPAC name is [diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate
PubChem CID71342432
Molecular FormulaC16H31N3O6Si
Molecular Weight389.53 g/mol
Exact Mass389.20
IUPAC Name[diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate
SMILESCCN(CC)/C(=N/CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O)N(C)C
InChIInChI=1S/C16H31N3O6Si/c1-8-19(9-2)16(18(6)7)17-11-10-12-26(23-13(3)20,24-14(4)21)25-15(5)22/h8-12H2,1-7H3/b17-16+
InChIKeyXEPLSGRXPQQFPC-WUKNDPDISA-N
XLogP1.26
TPSA97.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 51.26
H-Bond Donors ≤ 50
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate (CID 71342432) is [diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate is CCN(CC)/C(=N/CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O)N(C)C.
What is the InChIKey of [diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate?
The InChIKey is XEPLSGRXPQQFPC-WUKNDPDISA-N. The full InChI is InChI=1S/C16H31N3O6Si/c1-8-19(9-2)16(18(6)7)17-11-10-12-26(23-13(3)20,24-14(4)21)25-15(5)22/h8-12H2,1-7H3/b17-16+.
What are the key properties of [diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate?
[diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate has a molecular weight of 389.53 g/mol, XLogP of 1.26, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate is sourced from PubChem (CID 71342432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).