2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane

C14H28O6 — CID 14814457

IUPAC2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCC1OCCOCCOCCOCCOCCOC1C
InChIInChI=1S/C14H28O6/c1-13-14(2)20-12-10-18-8-6-16-4-3-15-5-7-17-9-11-19-13/h13-14H,3-12H2,1-2H3
InChIKeyFVEKHJSHKZYORD-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.88
Rot. Bonds

About 2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane

2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 14814457) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID14814457
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCC1OCCOCCOCCOCCOCCOC1C
InChIInChI=1S/C14H28O6/c1-13-14(2)20-12-10-18-8-6-16-4-3-15-5-7-17-9-11-19-13/h13-14H,3-12H2,1-2H3
InChIKeyFVEKHJSHKZYORD-UHFFFAOYSA-N
XLogP0.88
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 14814457) is 2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane is CC1OCCOCCOCCOCCOCCOC1C.
What is the InChIKey of 2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is FVEKHJSHKZYORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6/c1-13-14(2)20-12-10-18-8-6-16-4-3-15-5-7-17-9-11-19-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 292.37 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 14814457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).