1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3))

C9H25CaNO6Si2 — CID 6337496

IUPAC—
SMILESCCO[Si](CCCN)(OCC)OCC.O=[Si](O)O.[Ca]
InChIInChI=1S/C9H23NO3Si.Ca.H2O3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;;1-4(2)3/h4-10H2,1-3H3;;1-2H
InChIKeyZQPMOFPDNIELTM-UHFFFAOYSA-N
MW339.55 g/mol
LogP-0.61
Rot. Bonds9

About 1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3))

1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3)) (PubChem CID 6337496) has the molecular formula C9H25CaNO6Si2 and a molecular weight of 339.55 g/mol.

Molecular Properties

Compound Name1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3))
PubChem CID6337496
Molecular FormulaC9H25CaNO6Si2
Molecular Weight339.55 g/mol
Exact Mass339.08
IUPAC Name—
SMILESCCO[Si](CCCN)(OCC)OCC.O=[Si](O)O.[Ca]
InChIInChI=1S/C9H23NO3Si.Ca.H2O3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;;1-4(2)3/h4-10H2,1-3H3;;1-2H
InChIKeyZQPMOFPDNIELTM-UHFFFAOYSA-N
XLogP-0.61
TPSA111.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3))?
The IUPAC name of 1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3)) (CID 6337496) is not available.
What is the SMILES notation for 1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3))?
The canonical SMILES for 1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3)) is CCO[Si](CCCN)(OCC)OCC.O=[Si](O)O.[Ca].
What is the InChIKey of 1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3))?
The InChIKey is ZQPMOFPDNIELTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3Si.Ca.H2O3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;;1-4(2)3/h4-10H2,1-3H3;;1-2H.
What are the key properties of 1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3))?
1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3)) has a molecular weight of 339.55 g/mol, XLogP of -0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Propanamine, 3-(triethoxysilyl)-, reaction products with wollastonite (Ca(SiO3)) is sourced from PubChem (CID 6337496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).