8-(5-carboxypentanoyloxy)-8-oxooctanoic acid

C14H22O7 — CID 175284815

IUPAC8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)OC(=O)CCCCC(=O)O
InChIInChI=1S/C14H22O7/c15-11(16)7-3-1-2-4-9-13(19)21-14(20)10-6-5-8-12(17)18/h1-10H2,(H,15,16)(H,17,18)
InChIKeyHWVUUASEEDBCPU-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.13
Rot. Bonds12

About 8-(5-carboxypentanoyloxy)-8-oxooctanoic acid

8-(5-carboxypentanoyloxy)-8-oxooctanoic acid (PubChem CID 175284815) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is 8-(5-carboxypentanoyloxy)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
PubChem CID175284815
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)OC(=O)CCCCC(=O)O
InChIInChI=1S/C14H22O7/c15-11(16)7-3-1-2-4-9-13(19)21-14(20)10-6-5-8-12(17)18/h1-10H2,(H,15,16)(H,17,18)
InChIKeyHWVUUASEEDBCPU-UHFFFAOYSA-N
XLogP2.13
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442
30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459
6-[8-(5-carboxypentanoyloxy)-8-oxooctanoyl]oxy-6-oxohexanoic acid
CID 87893152
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-(5-carboxypentanoyloxy)-8-oxooctanoic acid?
The IUPAC name of 8-(5-carboxypentanoyloxy)-8-oxooctanoic acid (CID 175284815) is 8-(5-carboxypentanoyloxy)-8-oxooctanoic acid.
What is the SMILES notation for 8-(5-carboxypentanoyloxy)-8-oxooctanoic acid?
The canonical SMILES for 8-(5-carboxypentanoyloxy)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)OC(=O)CCCCC(=O)O.
What is the InChIKey of 8-(5-carboxypentanoyloxy)-8-oxooctanoic acid?
The InChIKey is HWVUUASEEDBCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O7/c15-11(16)7-3-1-2-4-9-13(19)21-14(20)10-6-5-8-12(17)18/h1-10H2,(H,15,16)(H,17,18).
What are the key properties of 8-(5-carboxypentanoyloxy)-8-oxooctanoic acid?
8-(5-carboxypentanoyloxy)-8-oxooctanoic acid has a molecular weight of 302.32 g/mol, XLogP of 2.13, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-carboxypentanoyloxy)-8-oxooctanoic acid is sourced from PubChem (CID 175284815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).