cyclohepta-1,3,5-triene;ethoxyethane

C11H18O — CID 68743328

IUPACcyclohepta-1,3,5-triene;ethoxyethane
SMILESC1=CC=CCC=C1.CCOCC
InChIInChI=1S/C7H8.C4H10O/c1-2-4-6-7-5-3-1;1-3-5-4-2/h1-6H,7H2;3-4H2,1-2H3
InChIKeyYOVGPNULAWFHEK-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds2

About cyclohepta-1,3,5-triene;ethoxyethane

cyclohepta-1,3,5-triene;ethoxyethane (PubChem CID 68743328) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is cyclohepta-1,3,5-triene;ethoxyethane.

Molecular Properties

Compound Namecyclohepta-1,3,5-triene;ethoxyethane
PubChem CID68743328
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Namecyclohepta-1,3,5-triene;ethoxyethane
SMILESC1=CC=CCC=C1.CCOCC
InChIInChI=1S/C7H8.C4H10O/c1-2-4-6-7-5-3-1;1-3-5-4-2/h1-6H,7H2;3-4H2,1-2H3
InChIKeyYOVGPNULAWFHEK-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,5-triene;ethoxyethane?
The IUPAC name of cyclohepta-1,3,5-triene;ethoxyethane (CID 68743328) is cyclohepta-1,3,5-triene;ethoxyethane.
What is the SMILES notation for cyclohepta-1,3,5-triene;ethoxyethane?
The canonical SMILES for cyclohepta-1,3,5-triene;ethoxyethane is C1=CC=CCC=C1.CCOCC.
What is the InChIKey of cyclohepta-1,3,5-triene;ethoxyethane?
The InChIKey is YOVGPNULAWFHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H10O/c1-2-4-6-7-5-3-1;1-3-5-4-2/h1-6H,7H2;3-4H2,1-2H3.
What are the key properties of cyclohepta-1,3,5-triene;ethoxyethane?
cyclohepta-1,3,5-triene;ethoxyethane has a molecular weight of 166.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,5-triene;ethoxyethane is sourced from PubChem (CID 68743328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).