8-(10-nonanoyloxydecanoyloxy)octanoic acid

C27H50O6 — CID 173430215

IUPAC8-(10-nonanoyloxydecanoyloxy)octanoic acid
SMILESCCCCCCCCC(=O)OCCCCCCCCCC(=O)OCCCCCCCC(=O)O
InChIInChI=1S/C27H50O6/c1-2-3-4-5-11-16-21-26(30)32-23-18-13-8-6-7-12-17-22-27(31)33-24-19-14-9-10-15-20-25(28)29/h2-24H2,1H3,(H,28,29)
InChIKeyJGZSPULRJGKTEW-UHFFFAOYSA-N
MW470.69 g/mol
LogP7.37
Rot. Bonds25

About 8-(10-nonanoyloxydecanoyloxy)octanoic acid

8-(10-nonanoyloxydecanoyloxy)octanoic acid (PubChem CID 173430215) has the molecular formula C27H50O6 and a molecular weight of 470.69 g/mol. Its IUPAC name is 8-(10-nonanoyloxydecanoyloxy)octanoic acid.

Molecular Properties

Compound Name8-(10-nonanoyloxydecanoyloxy)octanoic acid
PubChem CID173430215
Molecular FormulaC27H50O6
Molecular Weight470.69 g/mol
Exact Mass470.36
IUPAC Name8-(10-nonanoyloxydecanoyloxy)octanoic acid
SMILESCCCCCCCCC(=O)OCCCCCCCCCC(=O)OCCCCCCCC(=O)O
InChIInChI=1S/C27H50O6/c1-2-3-4-5-11-16-21-26(30)32-23-18-13-8-6-7-12-17-22-27(31)33-24-19-14-9-10-15-20-25(28)29/h2-24H2,1H3,(H,28,29)
InChIKeyJGZSPULRJGKTEW-UHFFFAOYSA-N
XLogP7.37
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.69
LogP ≤ 57.37
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

17-tetradecanoyloxyheptadecanoic acid
CID 170564356
12-hexadecoxy-12-oxododecanoic acid
CID 174602143
6-octadecanoyloxyhexyl octadecanoate;pentacontanedioic acid
CID 175973785
9-dodecanoyloxynonanoic acid
CID 57012340
octadecakis(decanoic acid);bis(tridecyl decanoate)
CID 174050313
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856
nonadecakis(decanoic acid);heptadecyl decanoate
CID 175591472
octadecanoic acid;octyl octanoate
CID 160923684
6-octacosoxy-6-oxohexanoic acid
CID 154142951
dodecyl octadecanoate;bis(octadecanoic acid)
CID 175591522
hexadecanoic acid;hexyl decanoate
CID 138523750
14-decoxy-14-oxotetradecanoic acid
CID 87963491

Frequently Asked Questions

What is the IUPAC name of 8-(10-nonanoyloxydecanoyloxy)octanoic acid?
The IUPAC name of 8-(10-nonanoyloxydecanoyloxy)octanoic acid (CID 173430215) is 8-(10-nonanoyloxydecanoyloxy)octanoic acid.
What is the SMILES notation for 8-(10-nonanoyloxydecanoyloxy)octanoic acid?
The canonical SMILES for 8-(10-nonanoyloxydecanoyloxy)octanoic acid is CCCCCCCCC(=O)OCCCCCCCCCC(=O)OCCCCCCCC(=O)O.
What is the InChIKey of 8-(10-nonanoyloxydecanoyloxy)octanoic acid?
The InChIKey is JGZSPULRJGKTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50O6/c1-2-3-4-5-11-16-21-26(30)32-23-18-13-8-6-7-12-17-22-27(31)33-24-19-14-9-10-15-20-25(28)29/h2-24H2,1H3,(H,28,29).
What are the key properties of 8-(10-nonanoyloxydecanoyloxy)octanoic acid?
8-(10-nonanoyloxydecanoyloxy)octanoic acid has a molecular weight of 470.69 g/mol, XLogP of 7.37, 25 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10-nonanoyloxydecanoyloxy)octanoic acid is sourced from PubChem (CID 173430215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).