1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane

C24H50O12 — CID 20724508

IUPAC1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane
SMILESCOCCOCC(COCC(COCC(COCCOC)OCCOC)OCCOC)OCCOC
InChIInChI=1S/C24H50O12/c1-25-6-11-30-16-22(34-13-8-27-3)18-32-20-24(36-15-10-29-5)21-33-19-23(35-14-9-28-4)17-31-12-7-26-2/h22-24H,6-21H2,1-5H3
InChIKeyCKAONQPCUQZWEK-UHFFFAOYSA-N
MW530.65 g/mol
LogP0.44
Rot. Bonds30

About 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane

1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane (PubChem CID 20724508) has the molecular formula C24H50O12 and a molecular weight of 530.65 g/mol. Its IUPAC name is 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane.

Molecular Properties

Compound Name1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane
PubChem CID20724508
Molecular FormulaC24H50O12
Molecular Weight530.65 g/mol
Exact Mass530.33
IUPAC Name1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane
SMILESCOCCOCC(COCC(COCC(COCCOC)OCCOC)OCCOC)OCCOC
InChIInChI=1S/C24H50O12/c1-25-6-11-30-16-22(34-13-8-27-3)18-32-20-24(36-15-10-29-5)21-33-19-23(35-14-9-28-4)17-31-12-7-26-2/h22-24H,6-21H2,1-5H3
InChIKeyCKAONQPCUQZWEK-UHFFFAOYSA-N
XLogP0.44
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane 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 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane?
The IUPAC name of 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane (CID 20724508) is 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane.
What is the SMILES notation for 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane?
The canonical SMILES for 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane is COCCOCC(COCC(COCC(COCCOC)OCCOC)OCCOC)OCCOC.
What is the InChIKey of 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane?
The InChIKey is CKAONQPCUQZWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O12/c1-25-6-11-30-16-22(34-13-8-27-3)18-32-20-24(36-15-10-29-5)21-33-19-23(35-14-9-28-4)17-31-12-7-26-2/h22-24H,6-21H2,1-5H3.
What are the key properties of 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane?
1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane has a molecular weight of 530.65 g/mol, XLogP of 0.44, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,3-bis(2-methoxyethoxy)propoxy]-2-(2-methoxyethoxy)propoxy]-2,3-bis(2-methoxyethoxy)propane is sourced from PubChem (CID 20724508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).