12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane

C22H42O8 — CID 14205915

IUPAC12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane
SMILESCCC1(C2(CC)COCCOCCOCCOC2)COCCOCCOCCOC1
InChIInChI=1S/C22H42O8/c1-3-21(17-27-13-9-23-5-6-24-10-14-28-18-21)22(4-2)19-29-15-11-25-7-8-26-12-16-30-20-22/h3-20H2,1-2H3
InChIKeyYVHIJFCUCYTCRU-UHFFFAOYSA-N
MW434.57 g/mol
LogP1.94
Rot. Bonds3

About 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane

12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane (PubChem CID 14205915) has the molecular formula C22H42O8 and a molecular weight of 434.57 g/mol. Its IUPAC name is 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane.

Molecular Properties

Compound Name12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane
PubChem CID14205915
Molecular FormulaC22H42O8
Molecular Weight434.57 g/mol
Exact Mass434.29
IUPAC Name12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane
SMILESCCC1(C2(CC)COCCOCCOCCOC2)COCCOCCOCCOC1
InChIInChI=1S/C22H42O8/c1-3-21(17-27-13-9-23-5-6-24-10-14-28-18-21)22(4-2)19-29-15-11-25-7-8-26-12-16-30-20-22/h3-20H2,1-2H3
InChIKeyYVHIJFCUCYTCRU-UHFFFAOYSA-N
XLogP1.94
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane with MolForge

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Related Compounds

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1,4-dioxane
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1,4-dioxane;tetradecane
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4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
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CID 89395620
1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone
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CID 174364272

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane?
The IUPAC name of 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane (CID 14205915) is 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane.
What is the SMILES notation for 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane?
The canonical SMILES for 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane is CCC1(C2(CC)COCCOCCOCCOC2)COCCOCCOCCOC1.
What is the InChIKey of 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane?
The InChIKey is YVHIJFCUCYTCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O8/c1-3-21(17-27-13-9-23-5-6-24-10-14-28-18-21)22(4-2)19-29-15-11-25-7-8-26-12-16-30-20-22/h3-20H2,1-2H3.
What are the key properties of 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane?
12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane has a molecular weight of 434.57 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane is sourced from PubChem (CID 14205915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).