15-(tetrazol-1-yl)pentadecanoic acid

C16H30N4O2 — CID 163406076

IUPAC15-(tetrazol-1-yl)pentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCn1cnnn1
InChIInChI=1S/C16H30N4O2/c21-16(22)13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-15-17-18-19-20/h15H,1-14H2,(H,21,22)
InChIKeyPOHBLMIIJPUBSE-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.83
Rot. Bonds15

About 15-(tetrazol-1-yl)pentadecanoic acid

15-(tetrazol-1-yl)pentadecanoic acid (PubChem CID 163406076) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 15-(tetrazol-1-yl)pentadecanoic acid.

Molecular Properties

Compound Name15-(tetrazol-1-yl)pentadecanoic acid
PubChem CID163406076
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name15-(tetrazol-1-yl)pentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCn1cnnn1
InChIInChI=1S/C16H30N4O2/c21-16(22)13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-15-17-18-19-20/h15H,1-14H2,(H,21,22)
InChIKeyPOHBLMIIJPUBSE-UHFFFAOYSA-N
XLogP3.83
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 15-(tetrazol-1-yl)pentadecanoic acid?
The IUPAC name of 15-(tetrazol-1-yl)pentadecanoic acid (CID 163406076) is 15-(tetrazol-1-yl)pentadecanoic acid.
What is the SMILES notation for 15-(tetrazol-1-yl)pentadecanoic acid?
The canonical SMILES for 15-(tetrazol-1-yl)pentadecanoic acid is O=C(O)CCCCCCCCCCCCCCn1cnnn1.
What is the InChIKey of 15-(tetrazol-1-yl)pentadecanoic acid?
The InChIKey is POHBLMIIJPUBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c21-16(22)13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-15-17-18-19-20/h15H,1-14H2,(H,21,22).
What are the key properties of 15-(tetrazol-1-yl)pentadecanoic acid?
15-(tetrazol-1-yl)pentadecanoic acid has a molecular weight of 310.44 g/mol, XLogP of 3.83, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(tetrazol-1-yl)pentadecanoic acid is sourced from PubChem (CID 163406076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).