2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate

C35H68O10 — CID 24832100

IUPAC2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOCC(OCCOC)C1OCC(OCCOC)C1OCCOC
InChIInChI=1S/C35H68O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(36)43-28-24-40-29-31(41-25-21-37-2)35-34(44-27-23-39-4)32(30-45-35)42-26-22-38-3/h31-32,34-35H,5-30H2,1-4H3
InChIKeyOIMZBBUYJOODMX-UHFFFAOYSA-N
MW648.92 g/mol
LogP6.30
Rot. Bonds34

About 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate

2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate (PubChem CID 24832100) has the molecular formula C35H68O10 and a molecular weight of 648.92 g/mol. Its IUPAC name is 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate.

Molecular Properties

Compound Name2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate
PubChem CID24832100
Molecular FormulaC35H68O10
Molecular Weight648.92 g/mol
Exact Mass648.48
IUPAC Name2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOCC(OCCOC)C1OCC(OCCOC)C1OCCOC
InChIInChI=1S/C35H68O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(36)43-28-24-40-29-31(41-25-21-37-2)35-34(44-27-23-39-4)32(30-45-35)42-26-22-38-3/h31-32,34-35H,5-30H2,1-4H3
InChIKeyOIMZBBUYJOODMX-UHFFFAOYSA-N
XLogP6.30
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds34
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.92
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate?
The IUPAC name of 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate (CID 24832100) is 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate.
What is the SMILES notation for 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate?
The canonical SMILES for 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCCOCC(OCCOC)C1OCC(OCCOC)C1OCCOC.
What is the InChIKey of 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate?
The InChIKey is OIMZBBUYJOODMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(36)43-28-24-40-29-31(41-25-21-37-2)35-34(44-27-23-39-4)32(30-45-35)42-26-22-38-3/h31-32,34-35H,5-30H2,1-4H3.
What are the key properties of 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate?
2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate has a molecular weight of 648.92 g/mol, XLogP of 6.30, 34 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate is sourced from PubChem (CID 24832100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).