triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane

C24H51N3O4Si — CID 178023193

IUPACtriethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane
SMILESCCCCCC(CCN1CCN(CCN2CCOCC2)CC1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C24H51N3O4Si/c1-5-9-10-11-24(32(29-6-2,30-7-3)31-8-4)12-13-25-14-16-26(17-15-25)18-19-27-20-22-28-23-21-27/h24H,5-23H2,1-4H3
InChIKeyXAOHUEDKCJZXDR-UHFFFAOYSA-N
MW473.78 g/mol
LogP3.33
Rot. Bonds17

About triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane

triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane (PubChem CID 178023193) has the molecular formula C24H51N3O4Si and a molecular weight of 473.78 g/mol. Its IUPAC name is triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane.

Molecular Properties

Compound Nametriethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane
PubChem CID178023193
Molecular FormulaC24H51N3O4Si
Molecular Weight473.78 g/mol
Exact Mass473.36
IUPAC Nametriethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane
SMILESCCCCCC(CCN1CCN(CCN2CCOCC2)CC1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C24H51N3O4Si/c1-5-9-10-11-24(32(29-6-2,30-7-3)31-8-4)12-13-25-14-16-26(17-15-25)18-19-27-20-22-28-23-21-27/h24H,5-23H2,1-4H3
InChIKeyXAOHUEDKCJZXDR-UHFFFAOYSA-N
XLogP3.33
TPSA46.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.78
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylnonyl)morpholine
CID 170444016
butane;4-butylmorpholine
CID 177152600
4-hexylmorpholine
CID 3614751
18-morpholin-4-yloctadecan-7-ol
CID 154324774
4-[4-(triethoxymethyl)dodecyl]morpholine
CID 150992267
4-[4-(1,1-diethoxyethyl)dodecyl]morpholine
CID 150051536
4-(5-methoxyoctyl)morpholine
CID 144712043
4-(2-hexoxyethyl)morpholine
CID 3326674
1-morpholin-4-ylheptan-2-ol
CID 15312312
butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane
CID 177243864
4-hexyl-1,4-oxazepane
CID 166849903
ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane
CID 177243870

Frequently Asked Questions

What is the IUPAC name of triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane?
The IUPAC name of triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane (CID 178023193) is triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane.
What is the SMILES notation for triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane?
The canonical SMILES for triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane is CCCCCC(CCN1CCN(CCN2CCOCC2)CC1)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane?
The InChIKey is XAOHUEDKCJZXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N3O4Si/c1-5-9-10-11-24(32(29-6-2,30-7-3)31-8-4)12-13-25-14-16-26(17-15-25)18-19-27-20-22-28-23-21-27/h24H,5-23H2,1-4H3.
What are the key properties of triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane?
triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane has a molecular weight of 473.78 g/mol, XLogP of 3.33, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane is sourced from PubChem (CID 178023193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).