[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate

C11H22N2O6Si — CID 22457230

IUPAC[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
SMILESCC(=O)O[Si](CCCNCCN)(OC(C)=O)OC(C)=O
InChIInChI=1S/C11H22N2O6Si/c1-9(14)17-20(18-10(2)15,19-11(3)16)8-4-6-13-7-5-12/h13H,4-8,12H2,1-3H3
InChIKeySGEQIBMXNIKDOV-UHFFFAOYSA-N
MW306.39 g/mol
LogP-0.45
Rot. Bonds9

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

[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate (PubChem CID 22457230) has the molecular formula C11H22N2O6Si and a molecular weight of 306.39 g/mol. Its IUPAC name is [diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
PubChem CID22457230
Molecular FormulaC11H22N2O6Si
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
SMILESCC(=O)O[Si](CCCNCCN)(OC(C)=O)OC(C)=O
InChIInChI=1S/C11H22N2O6Si/c1-9(14)17-20(18-10(2)15,19-11(3)16)8-4-6-13-7-5-12/h13H,4-8,12H2,1-3H3
InChIKeySGEQIBMXNIKDOV-UHFFFAOYSA-N
XLogP-0.45
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
CID 87568873
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
CID 157318736
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide
CID 59687521
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
pentacalcium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);decaacetate
CID 173203921
N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
CID 23344028

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate (CID 22457230) is [diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate is CC(=O)O[Si](CCCNCCN)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate?
The InChIKey is SGEQIBMXNIKDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6Si/c1-9(14)17-20(18-10(2)15,19-11(3)16)8-4-6-13-7-5-12/h13H,4-8,12H2,1-3H3.
What are the key properties of [diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate?
[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate has a molecular weight of 306.39 g/mol, XLogP of -0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate is sourced from PubChem (CID 22457230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).