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

C27H57NO3Si — CID 177243864

IUPACbutyl-(3-morpholin-4-ylpropyl)-dioctoxysilane
SMILESCCCCCCCCO[Si](CCCC)(CCCN1CCOCC1)OCCCCCCCC
InChIInChI=1S/C27H57NO3Si/c1-4-7-10-12-14-16-22-30-32(26-9-6-3,31-23-17-15-13-11-8-5-2)27-18-19-28-20-24-29-25-21-28/h4-27H2,1-3H3
InChIKeyIYQPHDDDMKUHIX-UHFFFAOYSA-N
MW471.84 g/mol
LogP7.71
Rot. Bonds23

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

butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane (PubChem CID 177243864) has the molecular formula C27H57NO3Si and a molecular weight of 471.84 g/mol. Its IUPAC name is butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane.

Molecular Properties

Compound Namebutyl-(3-morpholin-4-ylpropyl)-dioctoxysilane
PubChem CID177243864
Molecular FormulaC27H57NO3Si
Molecular Weight471.84 g/mol
Exact Mass471.41
IUPAC Namebutyl-(3-morpholin-4-ylpropyl)-dioctoxysilane
SMILESCCCCCCCCO[Si](CCCC)(CCCN1CCOCC1)OCCCCCCCC
InChIInChI=1S/C27H57NO3Si/c1-4-7-10-12-14-16-22-30-32(26-9-6-3,31-23-17-15-13-11-8-5-2)27-18-19-28-20-24-29-25-21-28/h4-27H2,1-3H3
InChIKeyIYQPHDDDMKUHIX-UHFFFAOYSA-N
XLogP7.71
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.84
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-dioctoxysilane?
The IUPAC name of butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane (CID 177243864) is butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane.
What is the SMILES notation for butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane?
The canonical SMILES for butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane is CCCCCCCCO[Si](CCCC)(CCCN1CCOCC1)OCCCCCCCC.
What is the InChIKey of butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane?
The InChIKey is IYQPHDDDMKUHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57NO3Si/c1-4-7-10-12-14-16-22-30-32(26-9-6-3,31-23-17-15-13-11-8-5-2)27-18-19-28-20-24-29-25-21-28/h4-27H2,1-3H3.
What are the key properties of butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane?
butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane has a molecular weight of 471.84 g/mol, XLogP of 7.71, 23 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)-dioctoxysilane is sourced from PubChem (CID 177243864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).