6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid

C16H26O9 — CID 88544057

IUPAC6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)OCCOCCOC(=O)CCCCC(=O)O
InChIInChI=1S/C16H26O9/c17-13(18)5-1-3-7-15(21)24-11-9-23-10-12-25-16(22)8-4-2-6-14(19)20/h1-12H2,(H,17,18)(H,19,20)
InChIKeyPAEQYJWCZQNWCA-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.38
Rot. Bonds16

About 6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid

6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid (PubChem CID 88544057) has the molecular formula C16H26O9 and a molecular weight of 362.38 g/mol. Its IUPAC name is 6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
PubChem CID88544057
Molecular FormulaC16H26O9
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)OCCOCCOC(=O)CCCCC(=O)O
InChIInChI=1S/C16H26O9/c17-13(18)5-1-3-7-15(21)24-11-9-23-10-12-25-16(22)8-4-2-6-14(19)20/h1-12H2,(H,17,18)(H,19,20)
InChIKeyPAEQYJWCZQNWCA-UHFFFAOYSA-N
XLogP1.38
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid
CID 154032087
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecanoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 162774593
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
4-[4-[2-(3-carboxypropanoyloxy)ethoxy]butoxy]-4-oxobutanoic acid
CID 89178356
6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929
6-[4-(4-ethoxybutoxy)butoxy]-6-oxohexanoic acid
CID 87459786
2-(2-dodecanoyloxyethoxy)ethyl dodecanoate;(Z)-octadec-9-enoic acid
CID 161339452
12-O-[2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-12-oxododecanoyl]oxyethoxy]ethoxy]ethyl] 1-O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] dodecanedioate
CID 102469729
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid?
The IUPAC name of 6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid (CID 88544057) is 6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid.
What is the SMILES notation for 6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid?
The canonical SMILES for 6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid is O=C(O)CCCCC(=O)OCCOCCOC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid?
The InChIKey is PAEQYJWCZQNWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O9/c17-13(18)5-1-3-7-15(21)24-11-9-23-10-12-25-16(22)8-4-2-6-14(19)20/h1-12H2,(H,17,18)(H,19,20).
What are the key properties of 6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid?
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid has a molecular weight of 362.38 g/mol, XLogP of 1.38, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid is sourced from PubChem (CID 88544057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).