trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane

C24H54N2O10Si2 — CID 102530971

IUPACtrimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane
SMILESCO[Si](CCCN1CCOCCOCCN(CCC[Si](OC)(OC)OC)CCOCCOCC1)(OC)OC
InChIInChI=1S/C24H54N2O10Si2/c1-27-37(28-2,29-3)23-7-9-25-11-15-33-19-21-35-17-13-26(14-18-36-22-20-34-16-12-25)10-8-24-38(30-4,31-5)32-6/h7-24H2,1-6H3
InChIKeyLDTNLMVHMWBDLE-UHFFFAOYSA-N
MW586.87 g/mol
LogP1.21
Rot. Bonds14

About trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane

trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane (PubChem CID 102530971) has the molecular formula C24H54N2O10Si2 and a molecular weight of 586.87 g/mol. Its IUPAC name is trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane
PubChem CID102530971
Molecular FormulaC24H54N2O10Si2
Molecular Weight586.87 g/mol
Exact Mass586.33
IUPAC Nametrimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane
SMILESCO[Si](CCCN1CCOCCOCCN(CCC[Si](OC)(OC)OC)CCOCCOCC1)(OC)OC
InChIInChI=1S/C24H54N2O10Si2/c1-27-37(28-2,29-3)23-7-9-25-11-15-33-19-21-35-17-13-26(14-18-36-22-20-34-16-12-25)10-8-24-38(30-4,31-5)32-6/h7-24H2,1-6H3
InChIKeyLDTNLMVHMWBDLE-UHFFFAOYSA-N
XLogP1.21
TPSA98.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.87
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane with MolForge

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Related Compounds

methoxy-[[[methoxy-methyl-(3-morpholin-4-ylpropyl)silyl]oxy-methyl-(3-morpholin-4-ylpropyl)silyl]oxy-methyl-(3-morpholin-4-ylpropyl)silyl]oxy-methyl-(3-morpholin-4-ylpropyl)silane
CID 171623491
trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane
CID 178023107
8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane
CID 165068627
trimethyl-[methyl-(3-morpholin-4-ylpropyl)-trimethylsilyloxysilyl]oxysilane
CID 12884194
trimethoxy(3-piperazin-1-ylpropyl)silane
CID 12841680
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
[dimethoxy(3-piperazin-1-ylpropyl)silyl]oxy-dimethoxy-(3-piperazin-1-ylpropyl)silane
CID 141466388
butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane
CID 177243877
butane;4-butylmorpholine
CID 177152600
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane
CID 177243864

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane?
The IUPAC name of trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane (CID 102530971) is trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane.
What is the SMILES notation for trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane?
The canonical SMILES for trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane is CO[Si](CCCN1CCOCCOCCN(CCC[Si](OC)(OC)OC)CCOCCOCC1)(OC)OC.
What is the InChIKey of trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane?
The InChIKey is LDTNLMVHMWBDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N2O10Si2/c1-27-37(28-2,29-3)23-7-9-25-11-15-33-19-21-35-17-13-26(14-18-36-22-20-34-16-12-25)10-8-24-38(30-4,31-5)32-6/h7-24H2,1-6H3.
What are the key properties of trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane?
trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane has a molecular weight of 586.87 g/mol, XLogP of 1.21, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane is sourced from PubChem (CID 102530971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).