trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane

C18H37N3O3Si — CID 142449342

IUPACtrimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane
SMILESCO[Si](CCCCCCCCCCn1cnc(C(C)C)n1)(OC)OC
InChIInChI=1S/C18H37N3O3Si/c1-17(2)18-19-16-21(20-18)14-12-10-8-6-7-9-11-13-15-25(22-3,23-4)24-5/h16-17H,6-15H2,1-5H3
InChIKeyYZYKUXVEADNJJU-UHFFFAOYSA-N
MW371.60 g/mol
LogP4.40
Rot. Bonds15

About trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane

trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane (PubChem CID 142449342) has the molecular formula C18H37N3O3Si and a molecular weight of 371.60 g/mol. Its IUPAC name is trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane.

Molecular Properties

Compound Nametrimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane
PubChem CID142449342
Molecular FormulaC18H37N3O3Si
Molecular Weight371.60 g/mol
Exact Mass371.26
IUPAC Nametrimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane
SMILESCO[Si](CCCCCCCCCCn1cnc(C(C)C)n1)(OC)OC
InChIInChI=1S/C18H37N3O3Si/c1-17(2)18-19-16-21(20-18)14-12-10-8-6-7-9-11-13-15-25(22-3,23-4)24-5/h16-17H,6-15H2,1-5H3
InChIKeyYZYKUXVEADNJJU-UHFFFAOYSA-N
XLogP4.40
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.60
LogP ≤ 54.40
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 trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane?
The IUPAC name of trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane (CID 142449342) is trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane.
What is the SMILES notation for trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane?
The canonical SMILES for trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane is CO[Si](CCCCCCCCCCn1cnc(C(C)C)n1)(OC)OC.
What is the InChIKey of trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane?
The InChIKey is YZYKUXVEADNJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O3Si/c1-17(2)18-19-16-21(20-18)14-12-10-8-6-7-9-11-13-15-25(22-3,23-4)24-5/h16-17H,6-15H2,1-5H3.
What are the key properties of trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane?
trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane has a molecular weight of 371.60 g/mol, XLogP of 4.40, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[10-(3-propan-2-yl-1,2,4-triazol-1-yl)decyl]silane is sourced from PubChem (CID 142449342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).