2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane

C16H32O6 — CID 14814455

IUPAC2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCC(C)(C)C1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C16H32O6/c1-16(2,3)15-14-21-11-10-19-7-6-17-4-5-18-8-9-20-12-13-22-15/h15H,4-14H2,1-3H3
InChIKeyHIVLKHFWFISLEV-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.51
Rot. Bonds

About 2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane

2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 14814455) has the molecular formula C16H32O6 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID14814455
Molecular FormulaC16H32O6
Molecular Weight320.43 g/mol
Exact Mass320.22
IUPAC Name2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCC(C)(C)C1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C16H32O6/c1-16(2,3)15-14-21-11-10-19-7-6-17-4-5-18-8-9-20-12-13-22-15/h15H,4-14H2,1-3H3
InChIKeyHIVLKHFWFISLEV-UHFFFAOYSA-N
XLogP1.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 14814455) is 2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane is CC(C)(C)C1COCCOCCOCCOCCOCCO1.
What is the InChIKey of 2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is HIVLKHFWFISLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O6/c1-16(2,3)15-14-21-11-10-19-7-6-17-4-5-18-8-9-20-12-13-22-15/h15H,4-14H2,1-3H3.
What are the key properties of 2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 320.43 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 14814455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).