2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane

C17H34O6 — CID 58195793

IUPAC2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCC(C)(C)CC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C17H34O6/c1-17(2,3)14-16-15-22-11-10-20-7-6-18-4-5-19-8-9-21-12-13-23-16/h16H,4-15H2,1-3H3
InChIKeyOOWGIYUFFDQEBF-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.90
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane

2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 58195793) has the molecular formula C17H34O6 and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID58195793
Molecular FormulaC17H34O6
Molecular Weight334.45 g/mol
Exact Mass334.24
IUPAC Name2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCC(C)(C)CC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C17H34O6/c1-17(2,3)14-16-15-22-11-10-20-7-6-18-4-5-19-8-9-21-12-13-23-16/h16H,4-15H2,1-3H3
InChIKeyOOWGIYUFFDQEBF-UHFFFAOYSA-N
XLogP1.90
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 58195793) is 2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane is CC(C)(C)CC1COCCOCCOCCOCCOCCO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is OOWGIYUFFDQEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O6/c1-17(2,3)14-16-15-22-11-10-20-7-6-18-4-5-19-8-9-21-12-13-23-16/h16H,4-15H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 334.45 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 58195793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).