39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol

C69H138O35 — CID 100966010

About 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol

39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol (PubChem CID 100966010) has the molecular formula C69H138O35 and a molecular weight of 1527.83 g/mol. Its IUPAC name is 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol.

Molecular Properties

• Compound Name: 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol
• PubChem CID: 100966010
• Molecular Formula: C69H138O35
• Molecular Weight: 1527.83 g/mol
• Exact Mass: 1526.90
• IUPAC Name: 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol
• SMILES: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC1COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CO1
• InChI: InChI=1S/C69H138O35/c70-2-5-74-8-11-77-14-17-80-20-23-83-26-29-89-41-44-93-47-50-96-53-56-99-59-62-102-66-69-67-103-63-60-100-57-54-97-51-48-94-45-42-91-39-37-88-35-34-87-33-32-86-31-30-84-27-24-81-21-18-78-15-12-75-9-6-72-3-1-4-73-7-10-76-13-16-79-19-22-82-25-28-85-36-38-90-40-43-92-46-49-95-52-55-98-58-61-101-64-68(71)65-104-69/h68-71H,1-67H2
• InChIKey: FQYWMHREZDAQLP-UHFFFAOYSA-N
• XLogP: -0.34
• TPSA: 345.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1527.83
LogP ≤ 5	-0.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol?

The IUPAC name of 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol (CID 100966010) is 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol.

What is the SMILES notation for 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol?

The canonical SMILES for 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol is OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC1COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CO1.

What is the InChIKey of 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol?

The InChIKey is FQYWMHREZDAQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H138O35/c70-2-5-74-8-11-77-14-17-80-20-23-83-26-29-89-41-44-93-47-50-96-53-56-99-59-62-102-66-69-67-103-63-60-100-57-54-97-51-48-94-45-42-91-39-37-88-35-34-87-33-32-86-31-30-84-27-24-81-21-18-78-15-12-75-9-6-72-3-1-4-73-7-10-76-13-16-79-19-22-82-25-28-85-36-38-90-40-43-92-46-49-95-52-55-98-58-61-101-64-68(71)65-104-69/h68-71H,1-67H2.

What are the key properties of 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol?

39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol has a molecular weight of 1527.83 g/mol, XLogP of -0.34, 28 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol is sourced from PubChem (CID 100966010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).