2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane

C22H44O6 — CID 2773915

IUPAC2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCCCCCCCCCCC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-22-21-27-18-17-25-14-13-23-11-12-24-15-16-26-19-20-28-22/h22H,2-21H2,1H3
InChIKeyYYGGFNZADNMHNJ-UHFFFAOYSA-N
MW404.59 g/mol
LogP4.00
Rot. Bonds9

About 2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane

2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 2773915) has the molecular formula C22H44O6 and a molecular weight of 404.59 g/mol. Its IUPAC name is 2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID2773915
Molecular FormulaC22H44O6
Molecular Weight404.59 g/mol
Exact Mass404.31
IUPAC Name2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCCCCCCCCCCC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-22-21-27-18-17-25-14-13-23-11-12-24-15-16-26-19-20-28-22/h22H,2-21H2,1H3
InChIKeyYYGGFNZADNMHNJ-UHFFFAOYSA-N
XLogP4.00
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.59
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 2773915) is 2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane is CCCCCCCCCCC1COCCOCCOCCOCCOCCO1.
What is the InChIKey of 2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is YYGGFNZADNMHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-22-21-27-18-17-25-14-13-23-11-12-24-15-16-26-19-20-28-22/h22H,2-21H2,1H3.
What are the key properties of 2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 404.59 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 2773915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).