phenylmethanimine;triethoxy(propyl)silane

C16H29NO3Si — CID 174631923

IUPACphenylmethanimine;triethoxy(propyl)silane
SMILESCCC[Si](OCC)(OCC)OCC.[H]/N=C/c1ccccc1
InChIInChI=1S/C9H22O3Si.C7H7N/c1-5-9-13(10-6-2,11-7-3)12-8-4;8-6-7-4-2-1-3-5-7/h5-9H2,1-4H3;1-6,8H/b;8-6+
InChIKeyLOAVIAIZCNEBAP-ZQGZPJDTSA-N
MW311.50 g/mol
LogP4.13
Rot. Bonds9

About phenylmethanimine;triethoxy(propyl)silane

phenylmethanimine;triethoxy(propyl)silane (PubChem CID 174631923) has the molecular formula C16H29NO3Si and a molecular weight of 311.50 g/mol. Its IUPAC name is phenylmethanimine;triethoxy(propyl)silane.

Molecular Properties

Compound Namephenylmethanimine;triethoxy(propyl)silane
PubChem CID174631923
Molecular FormulaC16H29NO3Si
Molecular Weight311.50 g/mol
Exact Mass311.19
IUPAC Namephenylmethanimine;triethoxy(propyl)silane
SMILESCCC[Si](OCC)(OCC)OCC.[H]/N=C/c1ccccc1
InChIInChI=1S/C9H22O3Si.C7H7N/c1-5-9-13(10-6-2,11-7-3)12-8-4;8-6-7-4-2-1-3-5-7/h5-9H2,1-4H3;1-6,8H/b;8-6+
InChIKeyLOAVIAIZCNEBAP-ZQGZPJDTSA-N
XLogP4.13
TPSA51.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenylmethanimine;triethoxy(propyl)silane?
The IUPAC name of phenylmethanimine;triethoxy(propyl)silane (CID 174631923) is phenylmethanimine;triethoxy(propyl)silane.
What is the SMILES notation for phenylmethanimine;triethoxy(propyl)silane?
The canonical SMILES for phenylmethanimine;triethoxy(propyl)silane is CCC[Si](OCC)(OCC)OCC.[H]/N=C/c1ccccc1.
What is the InChIKey of phenylmethanimine;triethoxy(propyl)silane?
The InChIKey is LOAVIAIZCNEBAP-ZQGZPJDTSA-N. The full InChI is InChI=1S/C9H22O3Si.C7H7N/c1-5-9-13(10-6-2,11-7-3)12-8-4;8-6-7-4-2-1-3-5-7/h5-9H2,1-4H3;1-6,8H/b;8-6+.
What are the key properties of phenylmethanimine;triethoxy(propyl)silane?
phenylmethanimine;triethoxy(propyl)silane has a molecular weight of 311.50 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanimine;triethoxy(propyl)silane is sourced from PubChem (CID 174631923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).