2-decylpropanedioic acid

C13H24O4 — CID 20389

IUPAC2-decylpropanedioic acid
SMILESCCCCCCCCCCC(C(=O)O)C(=O)O
InChIInChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17/h11H,2-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyHCUZVMHXDRSBKX-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.30
Rot. Bonds11

About 2-decylpropanedioic acid

2-decylpropanedioic acid (PubChem CID 20389) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-decylpropanedioic acid.

Molecular Properties

Compound Name2-decylpropanedioic acid
PubChem CID20389
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-decylpropanedioic acid
SMILESCCCCCCCCCCC(C(=O)O)C(=O)O
InChIInChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17/h11H,2-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyHCUZVMHXDRSBKX-UHFFFAOYSA-N
XLogP3.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-decylpropanedioic acid?
The IUPAC name of 2-decylpropanedioic acid (CID 20389) is 2-decylpropanedioic acid.
What is the SMILES notation for 2-decylpropanedioic acid?
The canonical SMILES for 2-decylpropanedioic acid is CCCCCCCCCCC(C(=O)O)C(=O)O.
What is the InChIKey of 2-decylpropanedioic acid?
The InChIKey is HCUZVMHXDRSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17/h11H,2-10H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-decylpropanedioic acid?
2-decylpropanedioic acid has a molecular weight of 244.33 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylpropanedioic acid is sourced from PubChem (CID 20389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).