8-(tetrazol-1-yl)octanoic acid

C9H16N4O2 — CID 21280277

IUPAC8-(tetrazol-1-yl)octanoic acid
SMILESO=C(O)CCCCCCCn1cnnn1
InChIInChI=1S/C9H16N4O2/c14-9(15)6-4-2-1-3-5-7-13-8-10-11-12-13/h8H,1-7H2,(H,14,15)
InChIKeyPYUCSYRRZIUSTE-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.10
Rot. Bonds8

About 8-(tetrazol-1-yl)octanoic acid

8-(tetrazol-1-yl)octanoic acid (PubChem CID 21280277) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 8-(tetrazol-1-yl)octanoic acid.

Molecular Properties

Compound Name8-(tetrazol-1-yl)octanoic acid
PubChem CID21280277
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name8-(tetrazol-1-yl)octanoic acid
SMILESO=C(O)CCCCCCCn1cnnn1
InChIInChI=1S/C9H16N4O2/c14-9(15)6-4-2-1-3-5-7-13-8-10-11-12-13/h8H,1-7H2,(H,14,15)
InChIKeyPYUCSYRRZIUSTE-UHFFFAOYSA-N
XLogP1.10
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.10
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 8-(tetrazol-1-yl)octanoic acid?
The IUPAC name of 8-(tetrazol-1-yl)octanoic acid (CID 21280277) is 8-(tetrazol-1-yl)octanoic acid.
What is the SMILES notation for 8-(tetrazol-1-yl)octanoic acid?
The canonical SMILES for 8-(tetrazol-1-yl)octanoic acid is O=C(O)CCCCCCCn1cnnn1.
What is the InChIKey of 8-(tetrazol-1-yl)octanoic acid?
The InChIKey is PYUCSYRRZIUSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c14-9(15)6-4-2-1-3-5-7-13-8-10-11-12-13/h8H,1-7H2,(H,14,15).
What are the key properties of 8-(tetrazol-1-yl)octanoic acid?
8-(tetrazol-1-yl)octanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tetrazol-1-yl)octanoic acid is sourced from PubChem (CID 21280277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).