ethoxyethane;[(E)-oct-2-enyl]benzene

C18H30O — CID 67924606

IUPACethoxyethane;[(E)-oct-2-enyl]benzene
SMILESCCCCC/C=C/Cc1ccccc1.CCOCC
InChIInChI=1S/C14H20.C4H10O/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-5-4-2/h6-10,12-13H,2-5,11H2,1H3;3-4H2,1-2H3/b8-6+;
InChIKeyGFYXYXVGQCCHAC-WVLIHFOGSA-N
MW262.44 g/mol
LogP5.41
Rot. Bonds8

About ethoxyethane;[(E)-oct-2-enyl]benzene

ethoxyethane;[(E)-oct-2-enyl]benzene (PubChem CID 67924606) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is ethoxyethane;[(E)-oct-2-enyl]benzene.

Molecular Properties

Compound Nameethoxyethane;[(E)-oct-2-enyl]benzene
PubChem CID67924606
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Nameethoxyethane;[(E)-oct-2-enyl]benzene
SMILESCCCCC/C=C/Cc1ccccc1.CCOCC
InChIInChI=1S/C14H20.C4H10O/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-5-4-2/h6-10,12-13H,2-5,11H2,1H3;3-4H2,1-2H3/b8-6+;
InChIKeyGFYXYXVGQCCHAC-WVLIHFOGSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-oct-2-enyl]benzene
CID 13383320
undec-4-enoxymethylbenzene
CID 158781580
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
nonadec-10-enylbenzene
CID 54264053
dodec-4-enylbenzene
CID 54018856
heptadec-4-enylbenzene
CID 173163087
[(Z)-heptadec-10-enyl]benzene
CID 175397737
1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene
CID 88540925
ethyl (E)-9-phenylnon-7-enoate
CID 11230728
ethyl (Z)-9-phenylnon-7-enoate
CID 102272083
(Z)-1-ethoxynon-2-ene
CID 164754073

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;[(E)-oct-2-enyl]benzene?
The IUPAC name of ethoxyethane;[(E)-oct-2-enyl]benzene (CID 67924606) is ethoxyethane;[(E)-oct-2-enyl]benzene.
What is the SMILES notation for ethoxyethane;[(E)-oct-2-enyl]benzene?
The canonical SMILES for ethoxyethane;[(E)-oct-2-enyl]benzene is CCCCC/C=C/Cc1ccccc1.CCOCC.
What is the InChIKey of ethoxyethane;[(E)-oct-2-enyl]benzene?
The InChIKey is GFYXYXVGQCCHAC-WVLIHFOGSA-N. The full InChI is InChI=1S/C14H20.C4H10O/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-5-4-2/h6-10,12-13H,2-5,11H2,1H3;3-4H2,1-2H3/b8-6+;.
What are the key properties of ethoxyethane;[(E)-oct-2-enyl]benzene?
ethoxyethane;[(E)-oct-2-enyl]benzene has a molecular weight of 262.44 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;[(E)-oct-2-enyl]benzene is sourced from PubChem (CID 67924606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).