[(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene

C20H30O — CID 10968139

IUPAC[(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene
SMILESCC/C=C\CCOCCCC/C=C/CCc1ccccc1
InChIInChI=1S/C20H30O/c1-2-3-4-13-18-21-19-14-8-6-5-7-10-15-20-16-11-9-12-17-20/h3-5,7,9,11-12,16-17H,2,6,8,10,13-15,18-19H2,1H3/b4-3-,7-5+
InChIKeyRWACRYLUDKTORE-QVXLNCAUSA-N
MW286.46 g/mol
LogP5.72
Rot. Bonds12

About [(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene

[(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene (PubChem CID 10968139) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is [(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene
PubChem CID10968139
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name[(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene
SMILESCC/C=C\CCOCCCC/C=C/CCc1ccccc1
InChIInChI=1S/C20H30O/c1-2-3-4-13-18-21-19-14-8-6-5-7-10-15-20-16-11-9-12-17-20/h3-5,7,9,11-12,16-17H,2,6,8,10,13-15,18-19H2,1H3/b4-3-,7-5+
InChIKeyRWACRYLUDKTORE-QVXLNCAUSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.72
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)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
2-pentoxyethylbenzene
CID 3022447
undec-4-enoxymethylbenzene
CID 158781580
[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene
CID 56957260
8-(8-phenyloctoxy)octylbenzene
CID 56628536
[(Z)-heptadec-10-enyl]benzene
CID 175397737
heptadec-4-enylbenzene
CID 173163087
dodec-4-enylbenzene
CID 54018856
14-propoxytetradecylbenzene
CID 126562833
10-butoxydecylbenzene
CID 151496754

Frequently Asked Questions

What is the IUPAC name of [(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene?
The IUPAC name of [(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene (CID 10968139) is [(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene.
What is the SMILES notation for [(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene?
The canonical SMILES for [(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene is CC/C=C\CCOCCCC/C=C/CCc1ccccc1.
What is the InChIKey of [(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene?
The InChIKey is RWACRYLUDKTORE-QVXLNCAUSA-N. The full InChI is InChI=1S/C20H30O/c1-2-3-4-13-18-21-19-14-8-6-5-7-10-15-20-16-11-9-12-17-20/h3-5,7,9,11-12,16-17H,2,6,8,10,13-15,18-19H2,1H3/b4-3-,7-5+.
What are the key properties of [(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene?
[(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene has a molecular weight of 286.46 g/mol, XLogP of 5.72, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene is sourced from PubChem (CID 10968139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).