butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane

C17H37NO3Si — CID 177243877

IUPACbutyl-(3-morpholin-4-ylpropyl)-dipropoxysilane
SMILESCCCC[Si](CCCN1CCOCC1)(OCCC)OCCC
InChIInChI=1S/C17H37NO3Si/c1-4-7-16-22(20-12-5-2,21-13-6-3)17-8-9-18-10-14-19-15-11-18/h4-17H2,1-3H3
InChIKeyLUGLIEZCVQTMRW-UHFFFAOYSA-N
MW331.57 g/mol
LogP3.80
Rot. Bonds13

About butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane

butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane (PubChem CID 177243877) has the molecular formula C17H37NO3Si and a molecular weight of 331.57 g/mol. Its IUPAC name is butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane.

Molecular Properties

Compound Namebutyl-(3-morpholin-4-ylpropyl)-dipropoxysilane
PubChem CID177243877
Molecular FormulaC17H37NO3Si
Molecular Weight331.57 g/mol
Exact Mass331.25
IUPAC Namebutyl-(3-morpholin-4-ylpropyl)-dipropoxysilane
SMILESCCCC[Si](CCCN1CCOCC1)(OCCC)OCCC
InChIInChI=1S/C17H37NO3Si/c1-4-7-16-22(20-12-5-2,21-13-6-3)17-8-9-18-10-14-19-15-11-18/h4-17H2,1-3H3
InChIKeyLUGLIEZCVQTMRW-UHFFFAOYSA-N
XLogP3.80
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane?
The IUPAC name of butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane (CID 177243877) is butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane.
What is the SMILES notation for butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane?
The canonical SMILES for butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane is CCCC[Si](CCCN1CCOCC1)(OCCC)OCCC.
What is the InChIKey of butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane?
The InChIKey is LUGLIEZCVQTMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3Si/c1-4-7-16-22(20-12-5-2,21-13-6-3)17-8-9-18-10-14-19-15-11-18/h4-17H2,1-3H3.
What are the key properties of butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane?
butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane has a molecular weight of 331.57 g/mol, XLogP of 3.80, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane is sourced from PubChem (CID 177243877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).