20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane

C20H38O6 — CID 14045659

IUPAC20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
SMILESCC(C)(C)C1CCC2OCCOCCOCCOCCOCCOC2C1
InChIInChI=1S/C20H38O6/c1-20(2,3)17-4-5-18-19(16-17)26-15-13-24-11-9-22-7-6-21-8-10-23-12-14-25-18/h17-19H,4-16H2,1-3H3
InChIKeyWPTKPYXYEPYUCH-UHFFFAOYSA-N
MW374.52 g/mol
LogP2.68
Rot. Bonds

About 20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane

20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane (PubChem CID 14045659) has the molecular formula C20H38O6 and a molecular weight of 374.52 g/mol. Its IUPAC name is 20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane.

Molecular Properties

Compound Name20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
PubChem CID14045659
Molecular FormulaC20H38O6
Molecular Weight374.52 g/mol
Exact Mass374.27
IUPAC Name20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
SMILESCC(C)(C)C1CCC2OCCOCCOCCOCCOCCOC2C1
InChIInChI=1S/C20H38O6/c1-20(2,3)17-4-5-18-19(16-17)26-15-13-24-11-9-22-7-6-21-8-10-23-12-14-25-18/h17-19H,4-16H2,1-3H3
InChIKeyWPTKPYXYEPYUCH-UHFFFAOYSA-N
XLogP2.68
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
The IUPAC name of 20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane (CID 14045659) is 20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane.
What is the SMILES notation for 20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
The canonical SMILES for 20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane is CC(C)(C)C1CCC2OCCOCCOCCOCCOCCOC2C1.
What is the InChIKey of 20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
The InChIKey is WPTKPYXYEPYUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O6/c1-20(2,3)17-4-5-18-19(16-17)26-15-13-24-11-9-22-7-6-21-8-10-23-12-14-25-18/h17-19H,4-16H2,1-3H3.
What are the key properties of 20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane has a molecular weight of 374.52 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 20-tert-butyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane is sourced from PubChem (CID 14045659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).