11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane

C22H49N3O3Si — CID 102100554

IUPAC11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane
SMILESCO[Si](CCCCCCCCCCCN1CCN(C)CCN(C)CC1)(OC)OC
InChIInChI=1S/C22H49N3O3Si/c1-23-16-17-24(2)19-21-25(20-18-23)15-13-11-9-7-6-8-10-12-14-22-29(26-3,27-4)28-5/h6-22H2,1-5H3
InChIKeyZNUMUDAVJXFWGZ-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.55
Rot. Bonds15

About 11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane

11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane (PubChem CID 102100554) has the molecular formula C22H49N3O3Si and a molecular weight of 431.74 g/mol. Its IUPAC name is 11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane.

Molecular Properties

Compound Name11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane
PubChem CID102100554
Molecular FormulaC22H49N3O3Si
Molecular Weight431.74 g/mol
Exact Mass431.35
IUPAC Name11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane
SMILESCO[Si](CCCCCCCCCCCN1CCN(C)CCN(C)CC1)(OC)OC
InChIInChI=1S/C22H49N3O3Si/c1-23-16-17-24(2)19-21-25(20-18-23)15-13-11-9-7-6-8-10-12-14-22-29(26-3,27-4)28-5/h6-22H2,1-5H3
InChIKeyZNUMUDAVJXFWGZ-UHFFFAOYSA-N
XLogP3.55
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane?
The IUPAC name of 11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane (CID 102100554) is 11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane.
What is the SMILES notation for 11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane?
The canonical SMILES for 11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane is CO[Si](CCCCCCCCCCCN1CCN(C)CCN(C)CC1)(OC)OC.
What is the InChIKey of 11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane?
The InChIKey is ZNUMUDAVJXFWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N3O3Si/c1-23-16-17-24(2)19-21-25(20-18-23)15-13-11-9-7-6-8-10-12-14-22-29(26-3,27-4)28-5/h6-22H2,1-5H3.
What are the key properties of 11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane?
11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane has a molecular weight of 431.74 g/mol, XLogP of 3.55, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane is sourced from PubChem (CID 102100554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).