[diacetyloxy(3-aminopropyl)silyl] acetate

C9H17NO6Si — CID 18620375

IUPAC[diacetyloxy(3-aminopropyl)silyl] acetate
SMILESCC(=O)O[Si](CCCN)(OC(C)=O)OC(C)=O
InChIInChI=1S/C9H17NO6Si/c1-7(11)14-17(6-4-5-10,15-8(2)12)16-9(3)13/h4-6,10H2,1-3H3
InChIKeyFFQCSDOYDVGJLQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.04
Rot. Bonds6

About [diacetyloxy(3-aminopropyl)silyl] acetate

[diacetyloxy(3-aminopropyl)silyl] acetate (PubChem CID 18620375) has the molecular formula C9H17NO6Si and a molecular weight of 263.32 g/mol. Its IUPAC name is [diacetyloxy(3-aminopropyl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(3-aminopropyl)silyl] acetate
PubChem CID18620375
Molecular FormulaC9H17NO6Si
Molecular Weight263.32 g/mol
Exact Mass263.08
IUPAC Name[diacetyloxy(3-aminopropyl)silyl] acetate
SMILESCC(=O)O[Si](CCCN)(OC(C)=O)OC(C)=O
InChIInChI=1S/C9H17NO6Si/c1-7(11)14-17(6-4-5-10,15-8(2)12)16-9(3)13/h4-6,10H2,1-3H3
InChIKeyFFQCSDOYDVGJLQ-UHFFFAOYSA-N
XLogP-0.04
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(3-aminopropyl)silyl] acetate?
The IUPAC name of [diacetyloxy(3-aminopropyl)silyl] acetate (CID 18620375) is [diacetyloxy(3-aminopropyl)silyl] acetate.
What is the SMILES notation for [diacetyloxy(3-aminopropyl)silyl] acetate?
The canonical SMILES for [diacetyloxy(3-aminopropyl)silyl] acetate is CC(=O)O[Si](CCCN)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(3-aminopropyl)silyl] acetate?
The InChIKey is FFQCSDOYDVGJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6Si/c1-7(11)14-17(6-4-5-10,15-8(2)12)16-9(3)13/h4-6,10H2,1-3H3.
What are the key properties of [diacetyloxy(3-aminopropyl)silyl] acetate?
[diacetyloxy(3-aminopropyl)silyl] acetate has a molecular weight of 263.32 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(3-aminopropyl)silyl] acetate is sourced from PubChem (CID 18620375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).