8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid

C24H38O10 — CID 87223442

IUPAC8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)OC(=O)CCCCCCC(=O)OC(=O)CCCCCCC(=O)O
InChIInChI=1S/C24H38O10/c25-19(26)13-7-1-3-9-15-21(29)33-23(31)17-11-5-6-12-18-24(32)34-22(30)16-10-4-2-8-14-20(27)28/h1-18H2,(H,25,26)(H,27,28)
InChIKeyLRTSZXWBSCDXMW-UHFFFAOYSA-N
MW486.56 g/mol
LogP4.32
Rot. Bonds21

About 8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid

8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid (PubChem CID 87223442) has the molecular formula C24H38O10 and a molecular weight of 486.56 g/mol. Its IUPAC name is 8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid.

Molecular Properties

Compound Name8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
PubChem CID87223442
Molecular FormulaC24H38O10
Molecular Weight486.56 g/mol
Exact Mass486.25
IUPAC Name8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)OC(=O)CCCCCCC(=O)OC(=O)CCCCCCC(=O)O
InChIInChI=1S/C24H38O10/c25-19(26)13-7-1-3-9-15-21(29)33-23(31)17-11-5-6-12-18-24(32)34-22(30)16-10-4-2-8-14-20(27)28/h1-18H2,(H,25,26)(H,27,28)
InChIKeyLRTSZXWBSCDXMW-UHFFFAOYSA-N
XLogP4.32
TPSA161.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459
6-[8-(5-carboxypentanoyloxy)-8-oxooctanoyl]oxy-6-oxohexanoic acid
CID 87893152
8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
CID 175284815
bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156
10-(9-carboxynonanoyloxy)-10-oxodecanoic acid;ethane-1,2-diol
CID 175232366
bis(4-[8-(3-carboxypropanoyloxy)-8-oxooctanoyl]oxy-4-oxobutanoic acid);pentanedioic acid
CID 174936379
9-[2-(8-carboxyoctanoyloxy)-2-oxoacetyl]oxy-9-oxononanoic acid
CID 175494360
9-decanoyloxy-9-oxononanoic acid
CID 170637743
8-dodecanoyloxy-8-oxooctanoic acid
CID 175147193
9-(2-aminoacetyl)oxy-9-oxononanoic acid
CID 174767814
acetyl acetate;decanedioic acid;bis(diacetyl decanedioate)
CID 162122865
4-dodecanoyloxy-4-oxobutanoic acid
CID 18175857

Frequently Asked Questions

What is the IUPAC name of 8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid?
The IUPAC name of 8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid (CID 87223442) is 8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid.
What is the SMILES notation for 8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid?
The canonical SMILES for 8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)OC(=O)CCCCCCC(=O)OC(=O)CCCCCCC(=O)O.
What is the InChIKey of 8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid?
The InChIKey is LRTSZXWBSCDXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O10/c25-19(26)13-7-1-3-9-15-21(29)33-23(31)17-11-5-6-12-18-24(32)34-22(30)16-10-4-2-8-14-20(27)28/h1-18H2,(H,25,26)(H,27,28).
What are the key properties of 8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid?
8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid has a molecular weight of 486.56 g/mol, XLogP of 4.32, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid is sourced from PubChem (CID 87223442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).