acetic acid;3-triethoxysilylpropan-1-amine

C11H27NO5Si — CID 71353054

IUPACacetic acid;3-triethoxysilylpropan-1-amine
SMILESCC(=O)O.CCO[Si](CCCN)(OCC)OCC
InChIInChI=1S/C9H23NO3Si.C2H4O2/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-2(3)4/h4-10H2,1-3H3;1H3,(H,3,4)
InChIKeyLQCBBFDILUQYIJ-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.47
Rot. Bonds9

About acetic acid;3-triethoxysilylpropan-1-amine

acetic acid;3-triethoxysilylpropan-1-amine (PubChem CID 71353054) has the molecular formula C11H27NO5Si and a molecular weight of 281.42 g/mol. Its IUPAC name is acetic acid;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Nameacetic acid;3-triethoxysilylpropan-1-amine
PubChem CID71353054
Molecular FormulaC11H27NO5Si
Molecular Weight281.42 g/mol
Exact Mass281.17
IUPAC Nameacetic acid;3-triethoxysilylpropan-1-amine
SMILESCC(=O)O.CCO[Si](CCCN)(OCC)OCC
InChIInChI=1S/C9H23NO3Si.C2H4O2/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-2(3)4/h4-10H2,1-3H3;1H3,(H,3,4)
InChIKeyLQCBBFDILUQYIJ-UHFFFAOYSA-N
XLogP1.47
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze acetic acid;3-triethoxysilylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-triethoxysilylpropan-1-amine?
The IUPAC name of acetic acid;3-triethoxysilylpropan-1-amine (CID 71353054) is acetic acid;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for acetic acid;3-triethoxysilylpropan-1-amine?
The canonical SMILES for acetic acid;3-triethoxysilylpropan-1-amine is CC(=O)O.CCO[Si](CCCN)(OCC)OCC.
What is the InChIKey of acetic acid;3-triethoxysilylpropan-1-amine?
The InChIKey is LQCBBFDILUQYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3Si.C2H4O2/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-2(3)4/h4-10H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-triethoxysilylpropan-1-amine?
acetic acid;3-triethoxysilylpropan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 71353054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).