acetic acid;3-trimethoxysilylpropan-1-amine

C10H25NO7Si — CID 87772052

IUPACacetic acid;3-trimethoxysilylpropan-1-amine
SMILESCC(=O)O.CC(=O)O.CO[Si](CCCN)(OC)OC
InChIInChI=1S/C6H17NO3Si.2C2H4O2/c1-8-11(9-2,10-3)6-4-5-7;2*1-2(3)4/h4-7H2,1-3H3;2*1H3,(H,3,4)
InChIKeyCBMNBZTYXUISDC-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.40
Rot. Bonds6

About acetic acid;3-trimethoxysilylpropan-1-amine

acetic acid;3-trimethoxysilylpropan-1-amine (PubChem CID 87772052) has the molecular formula C10H25NO7Si and a molecular weight of 299.40 g/mol. Its IUPAC name is acetic acid;3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Nameacetic acid;3-trimethoxysilylpropan-1-amine
PubChem CID87772052
Molecular FormulaC10H25NO7Si
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Nameacetic acid;3-trimethoxysilylpropan-1-amine
SMILESCC(=O)O.CC(=O)O.CO[Si](CCCN)(OC)OC
InChIInChI=1S/C6H17NO3Si.2C2H4O2/c1-8-11(9-2,10-3)6-4-5-7;2*1-2(3)4/h4-7H2,1-3H3;2*1H3,(H,3,4)
InChIKeyCBMNBZTYXUISDC-UHFFFAOYSA-N
XLogP0.40
TPSA128.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.40
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;3-trimethoxysilylpropan-1-amine?
The IUPAC name of acetic acid;3-trimethoxysilylpropan-1-amine (CID 87772052) is acetic acid;3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for acetic acid;3-trimethoxysilylpropan-1-amine?
The canonical SMILES for acetic acid;3-trimethoxysilylpropan-1-amine is CC(=O)O.CC(=O)O.CO[Si](CCCN)(OC)OC.
What is the InChIKey of acetic acid;3-trimethoxysilylpropan-1-amine?
The InChIKey is CBMNBZTYXUISDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO3Si.2C2H4O2/c1-8-11(9-2,10-3)6-4-5-7;2*1-2(3)4/h4-7H2,1-3H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;3-trimethoxysilylpropan-1-amine?
acetic acid;3-trimethoxysilylpropan-1-amine has a molecular weight of 299.40 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 87772052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).