7-hexadecanoyloxydecanoic acid

C26H50O4 — CID 138202190

IUPAC7-hexadecanoyloxydecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)OC(CCC)CCCCCC(=O)O
InChIInChI=1S/C26H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-26(29)30-24(20-4-2)21-17-16-18-22-25(27)28/h24H,3-23H2,1-2H3,(H,27,28)
InChIKeyLHZYTJUUOMBIQG-UHFFFAOYSA-N
MW426.68 g/mol
LogP8.21
Rot. Bonds23

About 7-hexadecanoyloxydecanoic acid

7-hexadecanoyloxydecanoic acid (PubChem CID 138202190) has the molecular formula C26H50O4 and a molecular weight of 426.68 g/mol. Its IUPAC name is 7-hexadecanoyloxydecanoic acid.

Molecular Properties

Compound Name7-hexadecanoyloxydecanoic acid
PubChem CID138202190
Molecular FormulaC26H50O4
Molecular Weight426.68 g/mol
Exact Mass426.37
IUPAC Name7-hexadecanoyloxydecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)OC(CCC)CCCCCC(=O)O
InChIInChI=1S/C26H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-26(29)30-24(20-4-2)21-17-16-18-22-25(27)28/h24H,3-23H2,1-2H3,(H,27,28)
InChIKeyLHZYTJUUOMBIQG-UHFFFAOYSA-N
XLogP8.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.68
LogP ≤ 58.21
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
11-tetradecanoyloxytetradecanoic acid
CID 133048364
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 7-hexadecanoyloxydecanoic acid?
The IUPAC name of 7-hexadecanoyloxydecanoic acid (CID 138202190) is 7-hexadecanoyloxydecanoic acid.
What is the SMILES notation for 7-hexadecanoyloxydecanoic acid?
The canonical SMILES for 7-hexadecanoyloxydecanoic acid is CCCCCCCCCCCCCCCC(=O)OC(CCC)CCCCCC(=O)O.
What is the InChIKey of 7-hexadecanoyloxydecanoic acid?
The InChIKey is LHZYTJUUOMBIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-26(29)30-24(20-4-2)21-17-16-18-22-25(27)28/h24H,3-23H2,1-2H3,(H,27,28).
What are the key properties of 7-hexadecanoyloxydecanoic acid?
7-hexadecanoyloxydecanoic acid has a molecular weight of 426.68 g/mol, XLogP of 8.21, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexadecanoyloxydecanoic acid is sourced from PubChem (CID 138202190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).