acetic acid;1-trimethoxysilylpropan-1-amine

C10H25NO7Si — CID 87772051

IUPACacetic acid;1-trimethoxysilylpropan-1-amine
SMILESCC(=O)O.CC(=O)O.CCC(N)[Si](OC)(OC)OC
InChIInChI=1S/C6H17NO3Si.2C2H4O2/c1-5-6(7)11(8-2,9-3)10-4;2*1-2(3)4/h6H,5,7H2,1-4H3;2*1H3,(H,3,4)
InChIKeyQDUFZFIAMFZESG-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.32
Rot. Bonds5

About acetic acid;1-trimethoxysilylpropan-1-amine

acetic acid;1-trimethoxysilylpropan-1-amine (PubChem CID 87772051) has the molecular formula C10H25NO7Si and a molecular weight of 299.40 g/mol. Its IUPAC name is acetic acid;1-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Nameacetic acid;1-trimethoxysilylpropan-1-amine
PubChem CID87772051
Molecular FormulaC10H25NO7Si
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Nameacetic acid;1-trimethoxysilylpropan-1-amine
SMILESCC(=O)O.CC(=O)O.CCC(N)[Si](OC)(OC)OC
InChIInChI=1S/C6H17NO3Si.2C2H4O2/c1-5-6(7)11(8-2,9-3)10-4;2*1-2(3)4/h6H,5,7H2,1-4H3;2*1H3,(H,3,4)
InChIKeyQDUFZFIAMFZESG-UHFFFAOYSA-N
XLogP0.32
TPSA128.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 acetic acid;1-trimethoxysilylpropan-1-amine?
The IUPAC name of acetic acid;1-trimethoxysilylpropan-1-amine (CID 87772051) is acetic acid;1-trimethoxysilylpropan-1-amine.
What is the SMILES notation for acetic acid;1-trimethoxysilylpropan-1-amine?
The canonical SMILES for acetic acid;1-trimethoxysilylpropan-1-amine is CC(=O)O.CC(=O)O.CCC(N)[Si](OC)(OC)OC.
What is the InChIKey of acetic acid;1-trimethoxysilylpropan-1-amine?
The InChIKey is QDUFZFIAMFZESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO3Si.2C2H4O2/c1-5-6(7)11(8-2,9-3)10-4;2*1-2(3)4/h6H,5,7H2,1-4H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;1-trimethoxysilylpropan-1-amine?
acetic acid;1-trimethoxysilylpropan-1-amine has a molecular weight of 299.40 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 87772051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).