2-dodecoxyacetic acid

C14H28O3 — CID 4182729

IUPAC2-dodecoxyacetic acid
SMILESCCCCCCCCCCCCOCC(=O)O
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKeyRFLZOPFYDJEUDJ-UHFFFAOYSA-N
MW244.37 g/mol
LogP4.01
Rot. Bonds13

About 2-dodecoxyacetic acid

2-dodecoxyacetic acid (PubChem CID 4182729) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-dodecoxyacetic acid.

Molecular Properties

Compound Name2-dodecoxyacetic acid
PubChem CID4182729
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-dodecoxyacetic acid
SMILESCCCCCCCCCCCCOCC(=O)O
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKeyRFLZOPFYDJEUDJ-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-dodecoxyacetic acid?
The IUPAC name of 2-dodecoxyacetic acid (CID 4182729) is 2-dodecoxyacetic acid.
What is the SMILES notation for 2-dodecoxyacetic acid?
The canonical SMILES for 2-dodecoxyacetic acid is CCCCCCCCCCCCOCC(=O)O.
What is the InChIKey of 2-dodecoxyacetic acid?
The InChIKey is RFLZOPFYDJEUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H,15,16).
What are the key properties of 2-dodecoxyacetic acid?
2-dodecoxyacetic acid has a molecular weight of 244.37 g/mol, XLogP of 4.01, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxyacetic acid is sourced from PubChem (CID 4182729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).