ethyl 1-decyltetrazole-5-carboxylate

C14H26N4O2 — CID 79317383

IUPACethyl 1-decyltetrazole-5-carboxylate
SMILESCCCCCCCCCCn1nnnc1C(=O)OCC
InChIInChI=1S/C14H26N4O2/c1-3-5-6-7-8-9-10-11-12-18-13(15-16-17-18)14(19)20-4-2/h3-12H2,1-2H3
InChIKeyRJYLDWMBXTYJEY-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.99
Rot. Bonds11

About ethyl 1-decyltetrazole-5-carboxylate

ethyl 1-decyltetrazole-5-carboxylate (PubChem CID 79317383) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is ethyl 1-decyltetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-decyltetrazole-5-carboxylate
PubChem CID79317383
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nameethyl 1-decyltetrazole-5-carboxylate
SMILESCCCCCCCCCCn1nnnc1C(=O)OCC
InChIInChI=1S/C14H26N4O2/c1-3-5-6-7-8-9-10-11-12-18-13(15-16-17-18)14(19)20-4-2/h3-12H2,1-2H3
InChIKeyRJYLDWMBXTYJEY-UHFFFAOYSA-N
XLogP2.99
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-decyltetrazole-5-carboxylate?
The IUPAC name of ethyl 1-decyltetrazole-5-carboxylate (CID 79317383) is ethyl 1-decyltetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-decyltetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-decyltetrazole-5-carboxylate is CCCCCCCCCCn1nnnc1C(=O)OCC.
What is the InChIKey of ethyl 1-decyltetrazole-5-carboxylate?
The InChIKey is RJYLDWMBXTYJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-5-6-7-8-9-10-11-12-18-13(15-16-17-18)14(19)20-4-2/h3-12H2,1-2H3.
What are the key properties of ethyl 1-decyltetrazole-5-carboxylate?
ethyl 1-decyltetrazole-5-carboxylate has a molecular weight of 282.39 g/mol, XLogP of 2.99, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-decyltetrazole-5-carboxylate is sourced from PubChem (CID 79317383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).