triethoxy-[5-(tetrazol-2-yl)pentyl]silane

C12H26N4O3Si — CID 142547982

IUPACtriethoxy-[5-(tetrazol-2-yl)pentyl]silane
SMILESCCO[Si](CCCCCn1ncnn1)(OCC)OCC
InChIInChI=1S/C12H26N4O3Si/c1-4-17-20(18-5-2,19-6-3)11-9-7-8-10-16-14-12-13-15-16/h12H,4-11H2,1-3H3
InChIKeyJDDLBVMUVJRAAD-UHFFFAOYSA-N
MW302.45 g/mol
LogP1.89
Rot. Bonds12

About triethoxy-[5-(tetrazol-2-yl)pentyl]silane

triethoxy-[5-(tetrazol-2-yl)pentyl]silane (PubChem CID 142547982) has the molecular formula C12H26N4O3Si and a molecular weight of 302.45 g/mol. Its IUPAC name is triethoxy-[5-(tetrazol-2-yl)pentyl]silane.

Molecular Properties

Compound Nametriethoxy-[5-(tetrazol-2-yl)pentyl]silane
PubChem CID142547982
Molecular FormulaC12H26N4O3Si
Molecular Weight302.45 g/mol
Exact Mass302.18
IUPAC Nametriethoxy-[5-(tetrazol-2-yl)pentyl]silane
SMILESCCO[Si](CCCCCn1ncnn1)(OCC)OCC
InChIInChI=1S/C12H26N4O3Si/c1-4-17-20(18-5-2,19-6-3)11-9-7-8-10-16-14-12-13-15-16/h12H,4-11H2,1-3H3
InChIKeyJDDLBVMUVJRAAD-UHFFFAOYSA-N
XLogP1.89
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of triethoxy-[5-(tetrazol-2-yl)pentyl]silane?
The IUPAC name of triethoxy-[5-(tetrazol-2-yl)pentyl]silane (CID 142547982) is triethoxy-[5-(tetrazol-2-yl)pentyl]silane.
What is the SMILES notation for triethoxy-[5-(tetrazol-2-yl)pentyl]silane?
The canonical SMILES for triethoxy-[5-(tetrazol-2-yl)pentyl]silane is CCO[Si](CCCCCn1ncnn1)(OCC)OCC.
What is the InChIKey of triethoxy-[5-(tetrazol-2-yl)pentyl]silane?
The InChIKey is JDDLBVMUVJRAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3Si/c1-4-17-20(18-5-2,19-6-3)11-9-7-8-10-16-14-12-13-15-16/h12H,4-11H2,1-3H3.
What are the key properties of triethoxy-[5-(tetrazol-2-yl)pentyl]silane?
triethoxy-[5-(tetrazol-2-yl)pentyl]silane has a molecular weight of 302.45 g/mol, XLogP of 1.89, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[5-(tetrazol-2-yl)pentyl]silane is sourced from PubChem (CID 142547982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).