3-(2-heptoxyethoxy)propanoic acid

C12H24O4 — CID 71368458

IUPAC3-(2-heptoxyethoxy)propanoic acid
SMILESCCCCCCCOCCOCCC(=O)O
InChIInChI=1S/C12H24O4/c1-2-3-4-5-6-8-15-10-11-16-9-7-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyPSKCPZZAIRSULH-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.46
Rot. Bonds12

About 3-(2-heptoxyethoxy)propanoic acid

3-(2-heptoxyethoxy)propanoic acid (PubChem CID 71368458) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(2-heptoxyethoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-heptoxyethoxy)propanoic acid
PubChem CID71368458
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name3-(2-heptoxyethoxy)propanoic acid
SMILESCCCCCCCOCCOCCC(=O)O
InChIInChI=1S/C12H24O4/c1-2-3-4-5-6-8-15-10-11-16-9-7-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyPSKCPZZAIRSULH-UHFFFAOYSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-heptoxyethoxy)propanoic 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

15-pentoxypentadecanoic acid
CID 89280169
acetic acid;dodecanoic acid;1-tetradecoxytetradecane
CID 158382459
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
4-nonoxybutan-2-one
CID 175477614
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
methyl 3-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]propanoate
CID 139594409
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
bis(1-(2-hexoxyethoxy)ethanol);pentanedioic acid
CID 88821065
1-hexoxypentan-3-one
CID 88538290

Frequently Asked Questions

What is the IUPAC name of 3-(2-heptoxyethoxy)propanoic acid?
The IUPAC name of 3-(2-heptoxyethoxy)propanoic acid (CID 71368458) is 3-(2-heptoxyethoxy)propanoic acid.
What is the SMILES notation for 3-(2-heptoxyethoxy)propanoic acid?
The canonical SMILES for 3-(2-heptoxyethoxy)propanoic acid is CCCCCCCOCCOCCC(=O)O.
What is the InChIKey of 3-(2-heptoxyethoxy)propanoic acid?
The InChIKey is PSKCPZZAIRSULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-2-3-4-5-6-8-15-10-11-16-9-7-12(13)14/h2-11H2,1H3,(H,13,14).
What are the key properties of 3-(2-heptoxyethoxy)propanoic acid?
3-(2-heptoxyethoxy)propanoic acid has a molecular weight of 232.32 g/mol, XLogP of 2.46, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-heptoxyethoxy)propanoic acid is sourced from PubChem (CID 71368458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).