1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene

C19H28O — CID 88540925

IUPAC1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene
SMILESCCCCC/C=C/CC/C=C/Cc1ccc(OC)cc1
InChIInChI=1S/C19H28O/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(20-2)17-15-18/h7-8,11-12,14-17H,3-6,9-10,13H2,1-2H3/b8-7+,12-11+
InChIKeyDUPAQRQDWOVTCS-NJHWEWLZSA-N
MW272.43 g/mol
LogP5.71
Rot. Bonds10

About 1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene

1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene (PubChem CID 88540925) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene
PubChem CID88540925
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene
SMILESCCCCC/C=C/CC/C=C/Cc1ccc(OC)cc1
InChIInChI=1S/C19H28O/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(20-2)17-15-18/h7-8,11-12,14-17H,3-6,9-10,13H2,1-2H3/b8-7+,12-11+
InChIKeyDUPAQRQDWOVTCS-NJHWEWLZSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.71
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-4-enyl]-4-methoxybenzene
CID 11288075
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene
CID 101129319
[(E)-oct-2-enyl]benzene
CID 13383320
ethoxyethane;[(E)-oct-2-enyl]benzene
CID 67924606
1-[(E)-3-bromoprop-1-enyl]-4-[(Z)-oct-2-enyl]benzene
CID 67947553
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
(6E,10Z,14E)-icosa-6,10,14-triene
CID 53230462
1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene
CID 46894337
6-(4-methoxyphenyl)hex-1-en-1-ol
CID 67578939
(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
CID 14427405

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene?
The IUPAC name of 1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene (CID 88540925) is 1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene?
The canonical SMILES for 1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene is CCCCC/C=C/CC/C=C/Cc1ccc(OC)cc1.
What is the InChIKey of 1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene?
The InChIKey is DUPAQRQDWOVTCS-NJHWEWLZSA-N. The full InChI is InChI=1S/C19H28O/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(20-2)17-15-18/h7-8,11-12,14-17H,3-6,9-10,13H2,1-2H3/b8-7+,12-11+.
What are the key properties of 1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene?
1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene has a molecular weight of 272.43 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene is sourced from PubChem (CID 88540925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).