5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid

C15H18O6 — CID 174341603

IUPAC5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)C1=CC=CC1C(=O)CCCC(=O)O
InChIInChI=1S/C15H18O6/c16-12(6-2-8-14(18)19)10-4-1-5-11(10)13(17)7-3-9-15(20)21/h1,4-5,10H,2-3,6-9H2,(H,18,19)(H,20,21)
InChIKeyDYAHETUGIJMPGE-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.75
Rot. Bonds10

About 5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid

5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid (PubChem CID 174341603) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid
PubChem CID174341603
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)C1=CC=CC1C(=O)CCCC(=O)O
InChIInChI=1S/C15H18O6/c16-12(6-2-8-14(18)19)10-4-1-5-11(10)13(17)7-3-9-15(20)21/h1,4-5,10H,2-3,6-9H2,(H,18,19)(H,20,21)
InChIKeyDYAHETUGIJMPGE-UHFFFAOYSA-N
XLogP1.75
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(6-ethylidenecyclohexa-2,4-diene-1-carboxylic acid);hexanedioic acid
CID 70442974
2-hydroxycyclopenta-2,4-diene-1-carboxylic acid
CID 174889379
gold;heptanedioic acid
CID 174896169
8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid
CID 142086755
6-cyclopenta-2,4-dien-1-ylhexanoic acid
CID 12645352
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
erbium;pentanedioic acid
CID 87931794
heptadecanedioic acid
CID 3083765
azane;bis(pentanedioic acid)
CID 138524332
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid (CID 174341603) is 5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)C1=CC=CC1C(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid?
The InChIKey is DYAHETUGIJMPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c16-12(6-2-8-14(18)19)10-4-1-5-11(10)13(17)7-3-9-15(20)21/h1,4-5,10H,2-3,6-9H2,(H,18,19)(H,20,21).
What are the key properties of 5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid?
5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid has a molecular weight of 294.30 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 174341603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).