propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate

C24H48O6 — CID 121470201

IUPACpropyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCCCCCCCCCCOCCOCCOCCOCCCC(=O)OCCC
InChIInChI=1S/C24H48O6/c1-3-5-6-7-8-9-10-11-12-16-26-18-20-28-22-23-29-21-19-27-17-13-14-24(25)30-15-4-2/h3-23H2,1-2H3
InChIKeyQWEAKJNCSBOAAE-UHFFFAOYSA-N
MW432.64 g/mol
LogP5.32
Rot. Bonds25

About propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate

propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate (PubChem CID 121470201) has the molecular formula C24H48O6 and a molecular weight of 432.64 g/mol. Its IUPAC name is propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Namepropyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
PubChem CID121470201
Molecular FormulaC24H48O6
Molecular Weight432.64 g/mol
Exact Mass432.35
IUPAC Namepropyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCCCCCCCCCCOCCOCCOCCOCCCC(=O)OCCC
InChIInChI=1S/C24H48O6/c1-3-5-6-7-8-9-10-11-12-16-26-18-20-28-22-23-29-21-19-27-17-13-14-24(25)30-15-4-2/h3-23H2,1-2H3
InChIKeyQWEAKJNCSBOAAE-UHFFFAOYSA-N
XLogP5.32
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.64
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-(2-nonoxyethoxy)butanoate
CID 121469405
hexyl 4-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470252
dodecyl 4-(2-decoxyethoxy)butanoate
CID 121469874
hexyl 4-[2-(2-decoxyethoxy)ethoxy]butanoate
CID 121469809
hexadecyl 4-(2-decoxyethoxy)butanoate
CID 121470350
octadecyl 4-[2-(2-undecoxyethoxy)ethoxy]butanoate
CID 121470527
nonyl 4-(2-pentoxyethoxy)butanoate
CID 121470464
octadecyl 4-(2-heptoxyethoxy)butanoate
CID 121469384
decyl 4-(2-decoxyethoxy)butanoate
CID 121470374
hexadecyl 4-(2-dodecoxyethoxy)butanoate
CID 121469473
tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470338
hexyl 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469353

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate?
The IUPAC name of propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate (CID 121470201) is propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate.
What is the SMILES notation for propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate?
The canonical SMILES for propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate is CCCCCCCCCCCOCCOCCOCCOCCCC(=O)OCCC.
What is the InChIKey of propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate?
The InChIKey is QWEAKJNCSBOAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O6/c1-3-5-6-7-8-9-10-11-12-16-26-18-20-28-22-23-29-21-19-27-17-13-14-24(25)30-15-4-2/h3-23H2,1-2H3.
What are the key properties of propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate?
propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate has a molecular weight of 432.64 g/mol, XLogP of 5.32, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate is sourced from PubChem (CID 121470201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).