propyl 4-(2-nonoxyethoxy)butanoate

C18H36O4 — CID 121469405

IUPACpropyl 4-(2-nonoxyethoxy)butanoate
SMILESCCCCCCCCCOCCOCCCC(=O)OCCC
InChIInChI=1S/C18H36O4/c1-3-5-6-7-8-9-10-14-20-16-17-21-15-11-12-18(19)22-13-4-2/h3-17H2,1-2H3
InChIKeyIXZIUIAFFOAWLW-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.50
Rot. Bonds17

About propyl 4-(2-nonoxyethoxy)butanoate

propyl 4-(2-nonoxyethoxy)butanoate (PubChem CID 121469405) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is propyl 4-(2-nonoxyethoxy)butanoate.

Molecular Properties

Compound Namepropyl 4-(2-nonoxyethoxy)butanoate
PubChem CID121469405
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Namepropyl 4-(2-nonoxyethoxy)butanoate
SMILESCCCCCCCCCOCCOCCCC(=O)OCCC
InChIInChI=1S/C18H36O4/c1-3-5-6-7-8-9-10-14-20-16-17-21-15-11-12-18(19)22-13-4-2/h3-17H2,1-2H3
InChIKeyIXZIUIAFFOAWLW-UHFFFAOYSA-N
XLogP4.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propyl 4-(2-nonoxyethoxy)butanoate 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

propyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470201
hexadecyl 4-(2-decoxyethoxy)butanoate
CID 121470350
octadecyl 4-[2-(2-undecoxyethoxy)ethoxy]butanoate
CID 121470527
hexyl 4-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470252
nonyl 4-(2-pentoxyethoxy)butanoate
CID 121470464
octadecyl 4-(2-heptoxyethoxy)butanoate
CID 121469384
decyl 4-(2-decoxyethoxy)butanoate
CID 121470374
dodecyl 4-(2-decoxyethoxy)butanoate
CID 121469874
hexyl 4-[2-(2-decoxyethoxy)ethoxy]butanoate
CID 121469809
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-nonoxyethoxy)butanoate?
The IUPAC name of propyl 4-(2-nonoxyethoxy)butanoate (CID 121469405) is propyl 4-(2-nonoxyethoxy)butanoate.
What is the SMILES notation for propyl 4-(2-nonoxyethoxy)butanoate?
The canonical SMILES for propyl 4-(2-nonoxyethoxy)butanoate is CCCCCCCCCOCCOCCCC(=O)OCCC.
What is the InChIKey of propyl 4-(2-nonoxyethoxy)butanoate?
The InChIKey is IXZIUIAFFOAWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c1-3-5-6-7-8-9-10-14-20-16-17-21-15-11-12-18(19)22-13-4-2/h3-17H2,1-2H3.
What are the key properties of propyl 4-(2-nonoxyethoxy)butanoate?
propyl 4-(2-nonoxyethoxy)butanoate has a molecular weight of 316.48 g/mol, XLogP of 4.50, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2-nonoxyethoxy)butanoate is sourced from PubChem (CID 121469405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).