10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid

C26H30O8 — CID 69022993

IUPAC10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid
SMILESO=C(O)CCCCCCCC(COC(=O)c1ccccc1)C(=O)OCOC(=O)c1ccccc1
InChIInChI=1S/C26H30O8/c27-23(28)17-11-3-1-2-6-16-22(18-32-24(29)20-12-7-4-8-13-20)26(31)34-19-33-25(30)21-14-9-5-10-15-21/h4-5,7-10,12-15,22H,1-3,6,11,16-19H2,(H,27,28)
InChIKeyYWWBGKHFSPYSDG-UHFFFAOYSA-N
MW470.52 g/mol
LogP4.63
Rot. Bonds15

About 10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid

10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid (PubChem CID 69022993) has the molecular formula C26H30O8 and a molecular weight of 470.52 g/mol. Its IUPAC name is 10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid.

Molecular Properties

Compound Name10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid
PubChem CID69022993
Molecular FormulaC26H30O8
Molecular Weight470.52 g/mol
Exact Mass470.19
IUPAC Name10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid
SMILESO=C(O)CCCCCCCC(COC(=O)c1ccccc1)C(=O)OCOC(=O)c1ccccc1
InChIInChI=1S/C26H30O8/c27-23(28)17-11-3-1-2-6-16-22(18-32-24(29)20-12-7-4-8-13-20)26(31)34-19-33-25(30)21-14-9-5-10-15-21/h4-5,7-10,12-15,22H,1-3,6,11,16-19H2,(H,27,28)
InChIKeyYWWBGKHFSPYSDG-UHFFFAOYSA-N
XLogP4.63
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

10-oxo-10-(phenylmethoxycarbonyloxymethoxy)-9-(phenylmethoxycarbonyloxymethyl)decanoic acid
CID 69026786
8-benzyl-9-[(2-benzyl-8-carboxyoctanoyl)oxymethoxy]-9-oxononanoic acid
CID 68807133
12-(acetyloxymethoxy)-11-(acetyloxymethyl)-12-oxododecanoic acid
CID 87662176
10-oxo-10-(propanoyloxymethoxy)-9-(propanoyloxymethyl)decanoic acid
CID 87661283
11-(octadecanoyloxymethoxy)-10-(octadecanoyloxymethyl)-11-oxoundecanoic acid
CID 87662488
2-aminodecyl benzoate
CID 141308993
7-phenylmethoxycarbonylnonanoic acid
CID 154313414
2,2-bis(benzoyloxymethyl)heptanedioic acid
CID 69024076
4-(benzoyloxymethyl)-5-hydroxyhexanoic acid
CID 171380366
3-benzoyloxypropanoic acid
CID 21263483
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
2-(benzoyloxymethyl)heptyl benzoate
CID 66728228

Frequently Asked Questions

What is the IUPAC name of 10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid?
The IUPAC name of 10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid (CID 69022993) is 10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid.
What is the SMILES notation for 10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid?
The canonical SMILES for 10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid is O=C(O)CCCCCCCC(COC(=O)c1ccccc1)C(=O)OCOC(=O)c1ccccc1.
What is the InChIKey of 10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid?
The InChIKey is YWWBGKHFSPYSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O8/c27-23(28)17-11-3-1-2-6-16-22(18-32-24(29)20-12-7-4-8-13-20)26(31)34-19-33-25(30)21-14-9-5-10-15-21/h4-5,7-10,12-15,22H,1-3,6,11,16-19H2,(H,27,28).
What are the key properties of 10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid?
10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid has a molecular weight of 470.52 g/mol, XLogP of 4.63, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(benzoyloxymethoxy)-9-(benzoyloxymethyl)-10-oxodecanoic acid is sourced from PubChem (CID 69022993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).