dipentyl 2-hydroxybutanedioate

C14H26O5 — CID 538423

IUPACdipentyl 2-hydroxybutanedioate
SMILESCCCCCOC(=O)CC(O)C(=O)OCCCCC
InChIInChI=1S/C14H26O5/c1-3-5-7-9-18-13(16)11-12(15)14(17)19-10-8-6-4-2/h12,15H,3-11H2,1-2H3
InChIKeyQYBQSAJWDVWJEB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.20
Rot. Bonds11

About dipentyl 2-hydroxybutanedioate

dipentyl 2-hydroxybutanedioate (PubChem CID 538423) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is dipentyl 2-hydroxybutanedioate.

Molecular Properties

Compound Namedipentyl 2-hydroxybutanedioate
PubChem CID538423
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Namedipentyl 2-hydroxybutanedioate
SMILESCCCCCOC(=O)CC(O)C(=O)OCCCCC
InChIInChI=1S/C14H26O5/c1-3-5-7-9-18-13(16)11-12(15)14(17)19-10-8-6-4-2/h12,15H,3-11H2,1-2H3
InChIKeyQYBQSAJWDVWJEB-UHFFFAOYSA-N
XLogP2.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dipentyl 2-hydroxybutanedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipentyl 2-hydroxybutanedioate?
The IUPAC name of dipentyl 2-hydroxybutanedioate (CID 538423) is dipentyl 2-hydroxybutanedioate.
What is the SMILES notation for dipentyl 2-hydroxybutanedioate?
The canonical SMILES for dipentyl 2-hydroxybutanedioate is CCCCCOC(=O)CC(O)C(=O)OCCCCC.
What is the InChIKey of dipentyl 2-hydroxybutanedioate?
The InChIKey is QYBQSAJWDVWJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-3-5-7-9-18-13(16)11-12(15)14(17)19-10-8-6-4-2/h12,15H,3-11H2,1-2H3.
What are the key properties of dipentyl 2-hydroxybutanedioate?
dipentyl 2-hydroxybutanedioate has a molecular weight of 274.36 g/mol, XLogP of 2.20, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl 2-hydroxybutanedioate is sourced from PubChem (CID 538423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).