4-(4-hydroxypentanoyloxy)butanoic acid

C9H16O5 — CID 57030364

IUPAC4-(4-hydroxypentanoyloxy)butanoic acid
SMILESCC(O)CCC(=O)OCCCC(=O)O
InChIInChI=1S/C9H16O5/c1-7(10)4-5-9(13)14-6-2-3-8(11)12/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeySYDSOGIOPFYWKZ-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.56
Rot. Bonds7

About 4-(4-hydroxypentanoyloxy)butanoic acid

4-(4-hydroxypentanoyloxy)butanoic acid (PubChem CID 57030364) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-(4-hydroxypentanoyloxy)butanoic acid.

Molecular Properties

Compound Name4-(4-hydroxypentanoyloxy)butanoic acid
PubChem CID57030364
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name4-(4-hydroxypentanoyloxy)butanoic acid
SMILESCC(O)CCC(=O)OCCCC(=O)O
InChIInChI=1S/C9H16O5/c1-7(10)4-5-9(13)14-6-2-3-8(11)12/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeySYDSOGIOPFYWKZ-UHFFFAOYSA-N
XLogP0.56
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-hydroxypentanoyloxy)butanoic 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

4-[2-(2-hydroxypropanoyloxy)acetyl]oxybutanoic acid
CID 175389566
12-(4-methylpentoxy)-12-oxododecanoic acid
CID 174676411
hexanedioic acid;hexane-2,5-diol
CID 160536258
8-(6-methylheptanoyloxy)octanoic acid
CID 56606331
bis(6-methylheptyl) hexanedioate;bis(7-methyloctyl) hexanedioate;hexanedioic acid
CID 174556774
4-[3-(3-hydroxyheptanoyloxy)propanoyloxy]butanoic acid
CID 87325946
butyl dodecanoate;bis(nonanoic acid);propane-1,2-diol
CID 173437255
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
5-(2-hydroxypropoxy)-5-oxopentanoic acid
CID 88687077
3-(3-hydroxybutanoyloxy)propanoic acid
CID 57258254
20-hydroxyhenicosanoic acid
CID 19591814
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypentanoyloxy)butanoic acid?
The IUPAC name of 4-(4-hydroxypentanoyloxy)butanoic acid (CID 57030364) is 4-(4-hydroxypentanoyloxy)butanoic acid.
What is the SMILES notation for 4-(4-hydroxypentanoyloxy)butanoic acid?
The canonical SMILES for 4-(4-hydroxypentanoyloxy)butanoic acid is CC(O)CCC(=O)OCCCC(=O)O.
What is the InChIKey of 4-(4-hydroxypentanoyloxy)butanoic acid?
The InChIKey is SYDSOGIOPFYWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-7(10)4-5-9(13)14-6-2-3-8(11)12/h7,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-(4-hydroxypentanoyloxy)butanoic acid?
4-(4-hydroxypentanoyloxy)butanoic acid has a molecular weight of 204.22 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypentanoyloxy)butanoic acid is sourced from PubChem (CID 57030364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).