tridecanedioic acid

C13H24O4 — CID 10458

IUPACtridecanedioic acid
SMILESO=C(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChIKeyDXNCZXXFRKPEPY-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.45
Rot. Bonds12

About tridecanedioic acid

tridecanedioic acid (PubChem CID 10458) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is tridecanedioic acid.

Molecular Properties

Compound Nametridecanedioic acid
PubChem CID10458
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nametridecanedioic acid
SMILESO=C(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChIKeyDXNCZXXFRKPEPY-UHFFFAOYSA-N
XLogP3.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Lauric Acid
CID 3893
Nonanoic Acid
CID 8158
Palmitic Acid
CID 985
Azelaic Acid
CID 2266
Stearic Acid
CID 5281
Heptanoic Acid
CID 8094
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Docosanoic Acid
CID 8215

Frequently Asked Questions

What is the IUPAC name of tridecanedioic acid?
The IUPAC name of tridecanedioic acid (CID 10458) is tridecanedioic acid.
What is the SMILES notation for tridecanedioic acid?
The canonical SMILES for tridecanedioic acid is O=C(O)CCCCCCCCCCCC(=O)O.
What is the InChIKey of tridecanedioic acid?
The InChIKey is DXNCZXXFRKPEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17).
What are the key properties of tridecanedioic acid?
tridecanedioic acid has a molecular weight of 244.33 g/mol, XLogP of 3.45, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tridecanedioic acid is sourced from PubChem (CID 10458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).