11-tetradecanoyloxytetradecanoic acid

C28H54O4 — CID 133048364

IUPAC11-tetradecanoyloxytetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)OC(CCC)CCCCCCCCCC(=O)O
InChIInChI=1S/C28H54O4/c1-3-5-6-7-8-9-10-11-15-18-21-25-28(31)32-26(22-4-2)23-19-16-13-12-14-17-20-24-27(29)30/h26H,3-25H2,1-2H3,(H,29,30)
InChIKeyVZSCHBMOABJRPX-UHFFFAOYSA-N
MW454.74 g/mol
LogP8.99
Rot. Bonds25

About 11-tetradecanoyloxytetradecanoic acid

11-tetradecanoyloxytetradecanoic acid (PubChem CID 133048364) has the molecular formula C28H54O4 and a molecular weight of 454.74 g/mol. Its IUPAC name is 11-tetradecanoyloxytetradecanoic acid.

Molecular Properties

Compound Name11-tetradecanoyloxytetradecanoic acid
PubChem CID133048364
Molecular FormulaC28H54O4
Molecular Weight454.74 g/mol
Exact Mass454.40
IUPAC Name11-tetradecanoyloxytetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)OC(CCC)CCCCCCCCCC(=O)O
InChIInChI=1S/C28H54O4/c1-3-5-6-7-8-9-10-11-15-18-21-25-28(31)32-26(22-4-2)23-19-16-13-12-14-17-20-24-27(29)30/h26H,3-25H2,1-2H3,(H,29,30)
InChIKeyVZSCHBMOABJRPX-UHFFFAOYSA-N
XLogP8.99
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 58.99
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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Related Compounds

21-tetracosanoyloxytetracosanoic acid
CID 133051713
14-tetradecanoyloxyheptadecanoic acid
CID 133048406
7-hexadecanoyloxydecanoic acid
CID 138202190
13-tetracosanoyloxyhexadecanoic acid
CID 133051623
14-heptadecanoyloxyheptadecanoic acid
CID 133049107
5-pentadecanoyloxyoctanoic acid
CID 138222563
7-heptadecanoyloxytridecanoic acid
CID 138133649
7-pentadecanoyloxydodecanoic acid
CID 138199072
9-nonanoyloxynonadecanoic acid
CID 138257490
9-decanoyloxynonadecanoic acid
CID 138174396
8-nonanoyloxyhexadecanoic acid
CID 138213155
9-heptanoyloxypentacosanoic acid
CID 138191859

Frequently Asked Questions

What is the IUPAC name of 11-tetradecanoyloxytetradecanoic acid?
The IUPAC name of 11-tetradecanoyloxytetradecanoic acid (CID 133048364) is 11-tetradecanoyloxytetradecanoic acid.
What is the SMILES notation for 11-tetradecanoyloxytetradecanoic acid?
The canonical SMILES for 11-tetradecanoyloxytetradecanoic acid is CCCCCCCCCCCCCC(=O)OC(CCC)CCCCCCCCCC(=O)O.
What is the InChIKey of 11-tetradecanoyloxytetradecanoic acid?
The InChIKey is VZSCHBMOABJRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O4/c1-3-5-6-7-8-9-10-11-15-18-21-25-28(31)32-26(22-4-2)23-19-16-13-12-14-17-20-24-27(29)30/h26H,3-25H2,1-2H3,(H,29,30).
What are the key properties of 11-tetradecanoyloxytetradecanoic acid?
11-tetradecanoyloxytetradecanoic acid has a molecular weight of 454.74 g/mol, XLogP of 8.99, 25 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tetradecanoyloxytetradecanoic acid is sourced from PubChem (CID 133048364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).