16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

C34H68N2O10 — CID 15145347

IUPAC16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESC(CCCCCN1CCOCCOCCOCCOCCOCC1)CCCCN1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C34H68N2O10/c1(3-5-7-9-35-11-15-37-19-23-41-27-31-45-32-28-42-24-20-38-16-12-35)2-4-6-8-10-36-13-17-39-21-25-43-29-33-46-34-30-44-26-22-40-18-14-36/h1-34H2
InChIKeyIOHAAUFRDMBTOB-UHFFFAOYSA-N
MW664.92 g/mol
LogP2.90
Rot. Bonds11

About 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (PubChem CID 15145347) has the molecular formula C34H68N2O10 and a molecular weight of 664.92 g/mol. Its IUPAC name is 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

Molecular Properties

Compound Name16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
PubChem CID15145347
Molecular FormulaC34H68N2O10
Molecular Weight664.92 g/mol
Exact Mass664.49
IUPAC Name16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESC(CCCCCN1CCOCCOCCOCCOCCOCC1)CCCCN1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C34H68N2O10/c1(3-5-7-9-35-11-15-37-19-23-41-27-31-45-32-28-42-24-20-38-16-12-35)2-4-6-8-10-36-13-17-39-21-25-43-29-33-46-34-30-44-26-22-40-18-14-36/h1-34H2
InChIKeyIOHAAUFRDMBTOB-UHFFFAOYSA-N
XLogP2.90
TPSA98.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.92
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The IUPAC name of 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CID 15145347) is 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.
What is the SMILES notation for 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The canonical SMILES for 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is C(CCCCCN1CCOCCOCCOCCOCCOCC1)CCCCN1CCOCCOCCOCCOCCOCC1.
What is the InChIKey of 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The InChIKey is IOHAAUFRDMBTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N2O10/c1(3-5-7-9-35-11-15-37-19-23-41-27-31-45-32-28-42-24-20-38-16-12-35)2-4-6-8-10-36-13-17-39-21-25-43-29-33-46-34-30-44-26-22-40-18-14-36/h1-34H2.
What are the key properties of 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane has a molecular weight of 664.92 g/mol, XLogP of 2.90, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is sourced from PubChem (CID 15145347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).