1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene

C19H28O2 — CID 46894337

IUPAC1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene
SMILESCCCCCCC/C=C/C(=C\c1ccc(OC)cc1)OC
InChIInChI=1S/C19H28O2/c1-4-5-6-7-8-9-10-11-19(21-3)16-17-12-14-18(20-2)15-13-17/h10-16H,4-9H2,1-3H3/b11-10+,19-16+
InChIKeyIWXTXRVHLXVDEW-WEGNKRRCSA-N
MW288.43 g/mol
LogP5.60
Rot. Bonds10

About 1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene

1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene (PubChem CID 46894337) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene
PubChem CID46894337
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene
SMILESCCCCCCC/C=C/C(=C\c1ccc(OC)cc1)OC
InChIInChI=1S/C19H28O2/c1-4-5-6-7-8-9-10-11-19(21-3)16-17-12-14-18(20-2)15-13-17/h10-16H,4-9H2,1-3H3/b11-10+,19-16+
InChIKeyIWXTXRVHLXVDEW-WEGNKRRCSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
1-[(E)-dec-4-enyl]-4-methoxybenzene
CID 11288075
(4-methoxyphenyl) 4-oct-2-enoyloxybenzoate
CID 54408453
1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene
CID 88540925
3-[(4-methoxyphenyl)methylidene]octan-2-one
CID 68526901
(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
CID 14427405
1-[(Z)-hept-1-enyl]-4-methoxybenzene;1-iodo-4-methylbenzene
CID 159696317
1-[(E)-dec-1-enyl]-3,5-dimethoxybenzene
CID 102295508
N-phenyldec-2-enamide
CID 72974313
1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene
CID 122222389

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene?
The IUPAC name of 1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene (CID 46894337) is 1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene?
The canonical SMILES for 1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene is CCCCCCC/C=C/C(=C\c1ccc(OC)cc1)OC.
What is the InChIKey of 1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene?
The InChIKey is IWXTXRVHLXVDEW-WEGNKRRCSA-N. The full InChI is InChI=1S/C19H28O2/c1-4-5-6-7-8-9-10-11-19(21-3)16-17-12-14-18(20-2)15-13-17/h10-16H,4-9H2,1-3H3/b11-10+,19-16+.
What are the key properties of 1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene?
1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene has a molecular weight of 288.43 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene is sourced from PubChem (CID 46894337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).