5-decan-5-yloxy-2,4,5-trioxopentanoic acid

C15H24O6 — CID 90415371

IUPAC5-decan-5-yloxy-2,4,5-trioxopentanoic acid
SMILESCCCCCC(CCCC)OC(=O)C(=O)CC(=O)C(=O)O
InChIInChI=1S/C15H24O6/c1-3-5-7-9-11(8-6-4-2)21-15(20)13(17)10-12(16)14(18)19/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyJNWLWCYEAOTAPZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.28
Rot. Bonds12

About 5-decan-5-yloxy-2,4,5-trioxopentanoic acid

5-decan-5-yloxy-2,4,5-trioxopentanoic acid (PubChem CID 90415371) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-decan-5-yloxy-2,4,5-trioxopentanoic acid.

Molecular Properties

Compound Name5-decan-5-yloxy-2,4,5-trioxopentanoic acid
PubChem CID90415371
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name5-decan-5-yloxy-2,4,5-trioxopentanoic acid
SMILESCCCCCC(CCCC)OC(=O)C(=O)CC(=O)C(=O)O
InChIInChI=1S/C15H24O6/c1-3-5-7-9-11(8-6-4-2)21-15(20)13(17)10-12(16)14(18)19/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyJNWLWCYEAOTAPZ-UHFFFAOYSA-N
XLogP2.28
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
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'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
4-octan-4-yloxy-2,3,4-trioxobutanoic acid
CID 90415246
tricosan-7-yl hydrogen carbonate
CID 87300503
hexacosan-8-yl hydrogen carbonate
CID 87300461
heptadecan-9-yl hydrogen carbonate
CID 18183422
icosan-10-yl hydrogen carbonate
CID 151448549
heptacosan-14-yl hydrogen carbonate
CID 87148310
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
nonadecan-4-yl hydrogen carbonate
CID 87300318
(E)-4-decan-5-yloxy-4-oxobut-2-enoic acid
CID 22719389
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765

Frequently Asked Questions

What is the IUPAC name of 5-decan-5-yloxy-2,4,5-trioxopentanoic acid?
The IUPAC name of 5-decan-5-yloxy-2,4,5-trioxopentanoic acid (CID 90415371) is 5-decan-5-yloxy-2,4,5-trioxopentanoic acid.
What is the SMILES notation for 5-decan-5-yloxy-2,4,5-trioxopentanoic acid?
The canonical SMILES for 5-decan-5-yloxy-2,4,5-trioxopentanoic acid is CCCCCC(CCCC)OC(=O)C(=O)CC(=O)C(=O)O.
What is the InChIKey of 5-decan-5-yloxy-2,4,5-trioxopentanoic acid?
The InChIKey is JNWLWCYEAOTAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-3-5-7-9-11(8-6-4-2)21-15(20)13(17)10-12(16)14(18)19/h11H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 5-decan-5-yloxy-2,4,5-trioxopentanoic acid?
5-decan-5-yloxy-2,4,5-trioxopentanoic acid has a molecular weight of 300.35 g/mol, XLogP of 2.28, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decan-5-yloxy-2,4,5-trioxopentanoic acid is sourced from PubChem (CID 90415371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).