11-(tetrazol-1-yl)undecanoic acid

C12H22N4O2 — CID 21280312

IUPAC11-(tetrazol-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCn1cnnn1
InChIInChI=1S/C12H22N4O2/c17-12(18)9-7-5-3-1-2-4-6-8-10-16-11-13-14-15-16/h11H,1-10H2,(H,17,18)
InChIKeyXDRPURGCBYSFNC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.27
Rot. Bonds11

About 11-(tetrazol-1-yl)undecanoic acid

11-(tetrazol-1-yl)undecanoic acid (PubChem CID 21280312) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 11-(tetrazol-1-yl)undecanoic acid.

Molecular Properties

Compound Name11-(tetrazol-1-yl)undecanoic acid
PubChem CID21280312
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name11-(tetrazol-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCn1cnnn1
InChIInChI=1S/C12H22N4O2/c17-12(18)9-7-5-3-1-2-4-6-8-10-16-11-13-14-15-16/h11H,1-10H2,(H,17,18)
InChIKeyXDRPURGCBYSFNC-UHFFFAOYSA-N
XLogP2.27
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.27
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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Related Compounds

CID 45495403
CID 45495403
CID 454096
CID 454096
CID 454101
CID 454101
CID 21280275
CID 21280275
CID 21280277
CID 21280277
CID 53953721
CID 53953721
CID 54070001
CID 54070001
CID 54443877
CID 54443877
CID 70630709
CID 70630709
CID 163406076
CID 163406076
CID 175901686
CID 175901686
CID 15230556
CID 15230556

Frequently Asked Questions

What is the IUPAC name of 11-(tetrazol-1-yl)undecanoic acid?
The IUPAC name of 11-(tetrazol-1-yl)undecanoic acid (CID 21280312) is 11-(tetrazol-1-yl)undecanoic acid.
What is the SMILES notation for 11-(tetrazol-1-yl)undecanoic acid?
The canonical SMILES for 11-(tetrazol-1-yl)undecanoic acid is O=C(O)CCCCCCCCCCn1cnnn1.
What is the InChIKey of 11-(tetrazol-1-yl)undecanoic acid?
The InChIKey is XDRPURGCBYSFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c17-12(18)9-7-5-3-1-2-4-6-8-10-16-11-13-14-15-16/h11H,1-10H2,(H,17,18).
What are the key properties of 11-(tetrazol-1-yl)undecanoic acid?
11-(tetrazol-1-yl)undecanoic acid has a molecular weight of 254.33 g/mol, XLogP of 2.27, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(tetrazol-1-yl)undecanoic acid is sourced from PubChem (CID 21280312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).