11-(1-ethyltriazol-4-yl)undecanoic acid

C15H27N3O2 — CID 71723725

IUPAC11-(1-ethyltriazol-4-yl)undecanoic acid
SMILESCCn1cc(CCCCCCCCCCC(=O)O)nn1
InChIInChI=1S/C15H27N3O2/c1-2-18-13-14(16-17-18)11-9-7-5-3-4-6-8-10-12-15(19)20/h13H,2-12H2,1H3,(H,19,20)
InChIKeyGBQHPFBOIBIINV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.44
Rot. Bonds12

About 11-(1-ethyltriazol-4-yl)undecanoic acid

11-(1-ethyltriazol-4-yl)undecanoic acid (PubChem CID 71723725) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 11-(1-ethyltriazol-4-yl)undecanoic acid.

Molecular Properties

Compound Name11-(1-ethyltriazol-4-yl)undecanoic acid
PubChem CID71723725
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name11-(1-ethyltriazol-4-yl)undecanoic acid
SMILESCCn1cc(CCCCCCCCCCC(=O)O)nn1
InChIInChI=1S/C15H27N3O2/c1-2-18-13-14(16-17-18)11-9-7-5-3-4-6-8-10-12-15(19)20/h13H,2-12H2,1H3,(H,19,20)
InChIKeyGBQHPFBOIBIINV-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[1-(Cyclohexylmethyl)triazol-4-yl]nonanoic acid
CID 24789337
sodium (Z)-13-(4-pentyltriazol-1-yl)tridec-8-enoate
CID 44235410
3-(1-Decyltriazol-4-yl)propanoic acid
CID 71723588
4-(1-Nonyltriazol-4-yl)butanoic acid
CID 71723722
6-(1-Heptyltriazol-4-yl)hexanoic acid
CID 71723723
3-(1-methyl-1H-1,2,3-triazol-4-yl)propanoic acid
CID 21284782
2-(4-Pentyl-1h-1,2,3-triazol-1-yl)acetic acid
CID 70682318
2-(4-Dodecyltriazol-1-yl)acetic acid
CID 70696953
2-(1-Undecyltriazol-4-yl)acetic acid
CID 71723587
8-(1-Pentyltriazol-4-yl)octanoic acid
CID 71723724
Ethyl 4-(4-pentyltriazol-1-yl)butanoate
CID 129909229
Ethyl 5-(4-pentyltriazol-1-yl)pentanoate
CID 129909230

Frequently Asked Questions

What is the IUPAC name of 11-(1-ethyltriazol-4-yl)undecanoic acid?
The IUPAC name of 11-(1-ethyltriazol-4-yl)undecanoic acid (CID 71723725) is 11-(1-ethyltriazol-4-yl)undecanoic acid.
What is the SMILES notation for 11-(1-ethyltriazol-4-yl)undecanoic acid?
The canonical SMILES for 11-(1-ethyltriazol-4-yl)undecanoic acid is CCn1cc(CCCCCCCCCCC(=O)O)nn1.
What is the InChIKey of 11-(1-ethyltriazol-4-yl)undecanoic acid?
The InChIKey is GBQHPFBOIBIINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-18-13-14(16-17-18)11-9-7-5-3-4-6-8-10-12-15(19)20/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 11-(1-ethyltriazol-4-yl)undecanoic acid?
11-(1-ethyltriazol-4-yl)undecanoic acid has a molecular weight of 281.40 g/mol, XLogP of 3.44, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-ethyltriazol-4-yl)undecanoic acid is sourced from PubChem (CID 71723725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).