3,4-diethylnonanedioic acid

C13H24O4 — CID 89315714

IUPAC3,4-diethylnonanedioic acid
SMILESCCC(CCCCC(=O)O)C(CC)CC(=O)O
InChIInChI=1S/C13H24O4/c1-3-10(7-5-6-8-12(14)15)11(4-2)9-13(16)17/h10-11H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyWFFLFLBSBABCIT-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.16
Rot. Bonds10

About 3,4-diethylnonanedioic acid

3,4-diethylnonanedioic acid (PubChem CID 89315714) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3,4-diethylnonanedioic acid.

Molecular Properties

Compound Name3,4-diethylnonanedioic acid
PubChem CID89315714
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name3,4-diethylnonanedioic acid
SMILESCCC(CCCCC(=O)O)C(CC)CC(=O)O
InChIInChI=1S/C13H24O4/c1-3-10(7-5-6-8-12(14)15)11(4-2)9-13(16)17/h10-11H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyWFFLFLBSBABCIT-UHFFFAOYSA-N
XLogP3.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.16
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

8-ethyl-9-methylhexadecanoic acid
CID 22136884
16-ethyl-17-methyldotriacontanoic acid
CID 87097319
3-(1-hydroxynonyl)undecanedioic acid
CID 20572461
3-(5,9-diethyltridecan-7-yl)nonadecanedioic acid
CID 87117894
5-ethyldecanedioic acid
CID 54495296
3-methylicosanedioic acid
CID 87117627
15-hydroxyheptadecanoic acid
CID 14454507
(18R)-18-methylicosanoic acid
CID 71587706
(3R)-3-methyltetradecanedioic acid
CID 142577447
27-hydroxynonacosanoic acid
CID 169277027
azane;7-ethyloctadecanedioic acid
CID 173365453
bis(hexanedioic acid);propane-1,1-diol
CID 157289592

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylnonanedioic acid?
The IUPAC name of 3,4-diethylnonanedioic acid (CID 89315714) is 3,4-diethylnonanedioic acid.
What is the SMILES notation for 3,4-diethylnonanedioic acid?
The canonical SMILES for 3,4-diethylnonanedioic acid is CCC(CCCCC(=O)O)C(CC)CC(=O)O.
What is the InChIKey of 3,4-diethylnonanedioic acid?
The InChIKey is WFFLFLBSBABCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-3-10(7-5-6-8-12(14)15)11(4-2)9-13(16)17/h10-11H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3,4-diethylnonanedioic acid?
3,4-diethylnonanedioic acid has a molecular weight of 244.33 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylnonanedioic acid is sourced from PubChem (CID 89315714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).