2-(2-tetradecanoyloxypropanoyloxy)propanoic acid

C20H36O6 — CID 54489487

IUPAC2-(2-tetradecanoyloxypropanoyloxy)propanoic acid
SMILESCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
InChIInChI=1S/C20H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(21)25-17(3)20(24)26-16(2)19(22)23/h16-17H,4-15H2,1-3H3,(H,22,23)
InChIKeyXUSFLPZBXNHFHE-UHFFFAOYSA-N
MW372.50 g/mol
LogP4.64
Rot. Bonds16

About 2-(2-tetradecanoyloxypropanoyloxy)propanoic acid

2-(2-tetradecanoyloxypropanoyloxy)propanoic acid (PubChem CID 54489487) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-(2-tetradecanoyloxypropanoyloxy)propanoic acid.

Molecular Properties

Compound Name2-(2-tetradecanoyloxypropanoyloxy)propanoic acid
PubChem CID54489487
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Name2-(2-tetradecanoyloxypropanoyloxy)propanoic acid
SMILESCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
InChIInChI=1S/C20H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(21)25-17(3)20(24)26-16(2)19(22)23/h16-17H,4-15H2,1-3H3,(H,22,23)
InChIKeyXUSFLPZBXNHFHE-UHFFFAOYSA-N
XLogP4.64
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 54.64
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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tetradecanoyloxypropanoyloxy)propanoic acid?
The IUPAC name of 2-(2-tetradecanoyloxypropanoyloxy)propanoic acid (CID 54489487) is 2-(2-tetradecanoyloxypropanoyloxy)propanoic acid.
What is the SMILES notation for 2-(2-tetradecanoyloxypropanoyloxy)propanoic acid?
The canonical SMILES for 2-(2-tetradecanoyloxypropanoyloxy)propanoic acid is CCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.
What is the InChIKey of 2-(2-tetradecanoyloxypropanoyloxy)propanoic acid?
The InChIKey is XUSFLPZBXNHFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(21)25-17(3)20(24)26-16(2)19(22)23/h16-17H,4-15H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-tetradecanoyloxypropanoyloxy)propanoic acid?
2-(2-tetradecanoyloxypropanoyloxy)propanoic acid has a molecular weight of 372.50 g/mol, XLogP of 4.64, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tetradecanoyloxypropanoyloxy)propanoic acid is sourced from PubChem (CID 54489487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).