5-methoxy-5-oxo-3-pentoxypentanoic acid

C11H20O5 — CID 87950220

IUPAC5-methoxy-5-oxo-3-pentoxypentanoic acid
SMILESCCCCCOC(CC(=O)O)CC(=O)OC
InChIInChI=1S/C11H20O5/c1-3-4-5-6-16-9(7-10(12)13)8-11(14)15-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyWDDYRUAYGWAOBT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.60
Rot. Bonds9

About 5-methoxy-5-oxo-3-pentoxypentanoic acid

5-methoxy-5-oxo-3-pentoxypentanoic acid (PubChem CID 87950220) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-methoxy-5-oxo-3-pentoxypentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-3-pentoxypentanoic acid
PubChem CID87950220
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name5-methoxy-5-oxo-3-pentoxypentanoic acid
SMILESCCCCCOC(CC(=O)O)CC(=O)OC
InChIInChI=1S/C11H20O5/c1-3-4-5-6-16-9(7-10(12)13)8-11(14)15-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyWDDYRUAYGWAOBT-UHFFFAOYSA-N
XLogP1.60
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-5-oxo-3-pentoxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 3-pentoxypentanedioate
CID 87950297
(3R)-3-[(3R)-3-dodecoxytetradecanoyl]oxytetradecanoic acid
CID 87369235
(3-carboxy-2-tridecoxypropyl)-trimethylazanium
CID 22407177
(3R)-3,5-dimethoxy-5-oxopentanoic acid
CID 14895219
3,3-dihexadecoxypropanoic acid
CID 88656990
3-hexoxybutanoic acid
CID 43536148
2-nonadecoxybutanedioic acid
CID 122611322
3-methoxynonanoic acid
CID 139673009
3-(3-hydroxypropoxy)pentanoic acid
CID 114988912
15-tetradecoxyoctacosanoic acid
CID 123678388
4-butoxy-3-ethoxybutanoic acid
CID 88787167
2-(1-undecoxyethoxy)acetic acid
CID 122610996

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-3-pentoxypentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-3-pentoxypentanoic acid (CID 87950220) is 5-methoxy-5-oxo-3-pentoxypentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-3-pentoxypentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-3-pentoxypentanoic acid is CCCCCOC(CC(=O)O)CC(=O)OC.
What is the InChIKey of 5-methoxy-5-oxo-3-pentoxypentanoic acid?
The InChIKey is WDDYRUAYGWAOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-3-4-5-6-16-9(7-10(12)13)8-11(14)15-2/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-methoxy-5-oxo-3-pentoxypentanoic acid?
5-methoxy-5-oxo-3-pentoxypentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-oxo-3-pentoxypentanoic acid is sourced from PubChem (CID 87950220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).