2-ethyl-2-propylnonanedioic acid

C14H26O4 — CID 162230582

IUPAC2-ethyl-2-propylnonanedioic acid
SMILESCCCC(CC)(CCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C14H26O4/c1-3-10-14(4-2,13(17)18)11-8-6-5-7-9-12(15)16/h3-11H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZVJDZXRFOSKXKL-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.69
Rot. Bonds11

About 2-ethyl-2-propylnonanedioic acid

2-ethyl-2-propylnonanedioic acid (PubChem CID 162230582) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-ethyl-2-propylnonanedioic acid.

Molecular Properties

Compound Name2-ethyl-2-propylnonanedioic acid
PubChem CID162230582
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-ethyl-2-propylnonanedioic acid
SMILESCCCC(CC)(CCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C14H26O4/c1-3-10-14(4-2,13(17)18)11-8-6-5-7-9-12(15)16/h3-11H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZVJDZXRFOSKXKL-UHFFFAOYSA-N
XLogP3.69
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-propylnonanedioic acid 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

2,2-di(tridecyl)dodecanedioic acid
CID 88920824
2,2-dioctylnonanedioic acid
CID 19037211
2,2-didecylheptanedioic acid
CID 123371306
2,2-di(docosyl)nonanedioic acid
CID 88541334
2,2-diethylhexanoic acid;7,7-dimethyloctanoic acid
CID 174289519
2-butyl-2-ethylnonanoic acid
CID 57042574
2,2-dipentylhexanedioic acid
CID 87342784
diethyl decanedioate;2,2-diethyldecanedioic acid
CID 161129028
2-hexyl-2-propylnonanoic acid
CID 25095857
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
2,2-di(docosyl)pentanedioic acid
CID 88540847

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-propylnonanedioic acid?
The IUPAC name of 2-ethyl-2-propylnonanedioic acid (CID 162230582) is 2-ethyl-2-propylnonanedioic acid.
What is the SMILES notation for 2-ethyl-2-propylnonanedioic acid?
The canonical SMILES for 2-ethyl-2-propylnonanedioic acid is CCCC(CC)(CCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 2-ethyl-2-propylnonanedioic acid?
The InChIKey is ZVJDZXRFOSKXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-3-10-14(4-2,13(17)18)11-8-6-5-7-9-12(15)16/h3-11H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-2-propylnonanedioic acid?
2-ethyl-2-propylnonanedioic acid has a molecular weight of 258.36 g/mol, XLogP of 3.69, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-propylnonanedioic acid is sourced from PubChem (CID 162230582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).