dipentanoyl hexanedioate

C16H26O6 — CID 174373362

IUPACdipentanoyl hexanedioate
SMILESCCCCC(=O)OC(=O)CCCCC(=O)OC(=O)CCCC
InChIInChI=1S/C16H26O6/c1-3-5-9-13(17)21-15(19)11-7-8-12-16(20)22-14(18)10-6-4-2/h3-12H2,1-2H3
InChIKeyRSMVAERPAAYPJG-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.07
Rot. Bonds11

About dipentanoyl hexanedioate

dipentanoyl hexanedioate (PubChem CID 174373362) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is dipentanoyl hexanedioate.

Molecular Properties

Compound Namedipentanoyl hexanedioate
PubChem CID174373362
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Namedipentanoyl hexanedioate
SMILESCCCCC(=O)OC(=O)CCCCC(=O)OC(=O)CCCC
InChIInChI=1S/C16H26O6/c1-3-5-9-13(17)21-15(19)11-7-8-12-16(20)22-14(18)10-6-4-2/h3-12H2,1-2H3
InChIKeyRSMVAERPAAYPJG-UHFFFAOYSA-N
XLogP3.07
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dipentanoyl hexanedioate 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

henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
europium(3+);hexanoyl hexanoate;trichloride
CID 174528713
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
dodecanoyl dodecanoate;sulfane
CID 174888621
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;ethanol
CID 157135932
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587

Frequently Asked Questions

What is the IUPAC name of dipentanoyl hexanedioate?
The IUPAC name of dipentanoyl hexanedioate (CID 174373362) is dipentanoyl hexanedioate.
What is the SMILES notation for dipentanoyl hexanedioate?
The canonical SMILES for dipentanoyl hexanedioate is CCCCC(=O)OC(=O)CCCCC(=O)OC(=O)CCCC.
What is the InChIKey of dipentanoyl hexanedioate?
The InChIKey is RSMVAERPAAYPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-3-5-9-13(17)21-15(19)11-7-8-12-16(20)22-14(18)10-6-4-2/h3-12H2,1-2H3.
What are the key properties of dipentanoyl hexanedioate?
dipentanoyl hexanedioate has a molecular weight of 314.38 g/mol, XLogP of 3.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipentanoyl hexanedioate is sourced from PubChem (CID 174373362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).