1-[(E)-dec-4-enyl]-4-methoxybenzene

C17H26O — CID 11288075

IUPAC1-[(E)-dec-4-enyl]-4-methoxybenzene
SMILESCCCCC/C=C/CCCc1ccc(OC)cc1
InChIInChI=1S/C17H26O/c1-3-4-5-6-7-8-9-10-11-16-12-14-17(18-2)15-13-16/h7-8,12-15H,3-6,9-11H2,1-2H3/b8-7+
InChIKeyPYIRIVXPDGEUNR-BQYQJAHWSA-N
MW246.39 g/mol
LogP5.15
Rot. Bonds9

About 1-[(E)-dec-4-enyl]-4-methoxybenzene

1-[(E)-dec-4-enyl]-4-methoxybenzene (PubChem CID 11288075) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[(E)-dec-4-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-dec-4-enyl]-4-methoxybenzene
PubChem CID11288075
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-[(E)-dec-4-enyl]-4-methoxybenzene
SMILESCCCCC/C=C/CCCc1ccc(OC)cc1
InChIInChI=1S/C17H26O/c1-3-4-5-6-7-8-9-10-11-16-12-14-17(18-2)15-13-16/h7-8,12-15H,3-6,9-11H2,1-2H3/b8-7+
InChIKeyPYIRIVXPDGEUNR-BQYQJAHWSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.15
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

1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene
CID 88540925
6-(4-methoxyphenyl)hex-1-en-1-ol
CID 67578939
dodec-4-enylbenzene
CID 54018856
heptadec-4-enylbenzene
CID 173163087
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
CID 14427405
2-[[4-[(E)-hexadec-4-enyl]phenoxy]methyl]-2-methyloxirane
CID 101313109
2-methyl-2-[[4-[(E)-tridec-4-enyl]phenoxy]methyl]oxirane
CID 101312862
ethane;1-methoxy-4-propylbenzene
CID 142085762

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-dec-4-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-dec-4-enyl]-4-methoxybenzene (CID 11288075) is 1-[(E)-dec-4-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-dec-4-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-dec-4-enyl]-4-methoxybenzene is CCCCC/C=C/CCCc1ccc(OC)cc1.
What is the InChIKey of 1-[(E)-dec-4-enyl]-4-methoxybenzene?
The InChIKey is PYIRIVXPDGEUNR-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H26O/c1-3-4-5-6-7-8-9-10-11-16-12-14-17(18-2)15-13-16/h7-8,12-15H,3-6,9-11H2,1-2H3/b8-7+.
What are the key properties of 1-[(E)-dec-4-enyl]-4-methoxybenzene?
1-[(E)-dec-4-enyl]-4-methoxybenzene has a molecular weight of 246.39 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-dec-4-enyl]-4-methoxybenzene is sourced from PubChem (CID 11288075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).