11-thiophen-2-yloxyundecanoic acid

C15H24O3S — CID 69270363

IUPAC11-thiophen-2-yloxyundecanoic acid
SMILESO=C(O)CCCCCCCCCCOc1cccs1
InChIInChI=1S/C15H24O3S/c16-14(17)10-7-5-3-1-2-4-6-8-12-18-15-11-9-13-19-15/h9,11,13H,1-8,10,12H2,(H,16,17)
InChIKeyBAKIIQQSFULXAI-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.72
Rot. Bonds12

About 11-thiophen-2-yloxyundecanoic acid

11-thiophen-2-yloxyundecanoic acid (PubChem CID 69270363) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 11-thiophen-2-yloxyundecanoic acid.

Molecular Properties

Compound Name11-thiophen-2-yloxyundecanoic acid
PubChem CID69270363
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name11-thiophen-2-yloxyundecanoic acid
SMILESO=C(O)CCCCCCCCCCOc1cccs1
InChIInChI=1S/C15H24O3S/c16-14(17)10-7-5-3-1-2-4-6-8-12-18-15-11-9-13-19-15/h9,11,13H,1-8,10,12H2,(H,16,17)
InChIKeyBAKIIQQSFULXAI-UHFFFAOYSA-N
XLogP4.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 11-thiophen-2-yloxyundecanoic acid?
The IUPAC name of 11-thiophen-2-yloxyundecanoic acid (CID 69270363) is 11-thiophen-2-yloxyundecanoic acid.
What is the SMILES notation for 11-thiophen-2-yloxyundecanoic acid?
The canonical SMILES for 11-thiophen-2-yloxyundecanoic acid is O=C(O)CCCCCCCCCCOc1cccs1.
What is the InChIKey of 11-thiophen-2-yloxyundecanoic acid?
The InChIKey is BAKIIQQSFULXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c16-14(17)10-7-5-3-1-2-4-6-8-12-18-15-11-9-13-19-15/h9,11,13H,1-8,10,12H2,(H,16,17).
What are the key properties of 11-thiophen-2-yloxyundecanoic acid?
11-thiophen-2-yloxyundecanoic acid has a molecular weight of 284.42 g/mol, XLogP of 4.72, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-thiophen-2-yloxyundecanoic acid is sourced from PubChem (CID 69270363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).