3-(5-decyltetrazol-2-yl)propyl-triethoxysilane

C20H42N4O3Si — CID 142547971

IUPAC3-(5-decyltetrazol-2-yl)propyl-triethoxysilane
SMILESCCCCCCCCCCc1nnn(CCC[Si](OCC)(OCC)OCC)n1
InChIInChI=1S/C20H42N4O3Si/c1-5-9-10-11-12-13-14-15-17-20-21-23-24(22-20)18-16-19-28(25-6-2,26-7-3)27-8-4/h5-19H2,1-4H3
InChIKeyRIFJMOCWEZXAKZ-UHFFFAOYSA-N
MW414.67 g/mol
LogP4.79
Rot. Bonds19

About 3-(5-decyltetrazol-2-yl)propyl-triethoxysilane

3-(5-decyltetrazol-2-yl)propyl-triethoxysilane (PubChem CID 142547971) has the molecular formula C20H42N4O3Si and a molecular weight of 414.67 g/mol. Its IUPAC name is 3-(5-decyltetrazol-2-yl)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(5-decyltetrazol-2-yl)propyl-triethoxysilane
PubChem CID142547971
Molecular FormulaC20H42N4O3Si
Molecular Weight414.67 g/mol
Exact Mass414.30
IUPAC Name3-(5-decyltetrazol-2-yl)propyl-triethoxysilane
SMILESCCCCCCCCCCc1nnn(CCC[Si](OCC)(OCC)OCC)n1
InChIInChI=1S/C20H42N4O3Si/c1-5-9-10-11-12-13-14-15-17-20-21-23-24(22-20)18-16-19-28(25-6-2,26-7-3)27-8-4/h5-19H2,1-4H3
InChIKeyRIFJMOCWEZXAKZ-UHFFFAOYSA-N
XLogP4.79
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 54.79
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

2-butyl-5-propyltetrazole
CID 69034353
3-(5-decyltetrazol-1-yl)propyl-triethoxysilane
CID 142547984
2-(2,2-dimethylpropyl)-5-hexyltetrazole
CID 69030471
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide
CID 142548030
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
3-(benzotriazol-2-yl)propyl-triethoxysilane
CID 168967771
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
5-(2-methylpropyl)-2-pentyltetrazole
CID 69030180

Frequently Asked Questions

What is the IUPAC name of 3-(5-decyltetrazol-2-yl)propyl-triethoxysilane?
The IUPAC name of 3-(5-decyltetrazol-2-yl)propyl-triethoxysilane (CID 142547971) is 3-(5-decyltetrazol-2-yl)propyl-triethoxysilane.
What is the SMILES notation for 3-(5-decyltetrazol-2-yl)propyl-triethoxysilane?
The canonical SMILES for 3-(5-decyltetrazol-2-yl)propyl-triethoxysilane is CCCCCCCCCCc1nnn(CCC[Si](OCC)(OCC)OCC)n1.
What is the InChIKey of 3-(5-decyltetrazol-2-yl)propyl-triethoxysilane?
The InChIKey is RIFJMOCWEZXAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4O3Si/c1-5-9-10-11-12-13-14-15-17-20-21-23-24(22-20)18-16-19-28(25-6-2,26-7-3)27-8-4/h5-19H2,1-4H3.
What are the key properties of 3-(5-decyltetrazol-2-yl)propyl-triethoxysilane?
3-(5-decyltetrazol-2-yl)propyl-triethoxysilane has a molecular weight of 414.67 g/mol, XLogP of 4.79, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-decyltetrazol-2-yl)propyl-triethoxysilane is sourced from PubChem (CID 142547971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).