[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene

C13H16O — CID 164672506

IUPAC[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene
SMILESC/C=C/C=C/C(OC)c1ccccc1
InChIInChI=1S/C13H16O/c1-3-4-6-11-13(14-2)12-9-7-5-8-10-12/h3-11,13H,1-2H3/b4-3+,11-6+
InChIKeyNTIHDYSYMVEUDI-HFBSYCRKSA-N
MW188.27 g/mol
LogP3.51
Rot. Bonds4

About [(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene

[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene (PubChem CID 164672506) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is [(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene.

Molecular Properties

Compound Name[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene
PubChem CID164672506
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene
SMILESC/C=C/C=C/C(OC)c1ccccc1
InChIInChI=1S/C13H16O/c1-3-4-6-11-13(14-2)12-9-7-5-8-10-12/h3-11,13H,1-2H3/b4-3+,11-6+
InChIKeyNTIHDYSYMVEUDI-HFBSYCRKSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene?
The IUPAC name of [(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene (CID 164672506) is [(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene.
What is the SMILES notation for [(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene?
The canonical SMILES for [(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene is C/C=C/C=C/C(OC)c1ccccc1.
What is the InChIKey of [(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene?
The InChIKey is NTIHDYSYMVEUDI-HFBSYCRKSA-N. The full InChI is InChI=1S/C13H16O/c1-3-4-6-11-13(14-2)12-9-7-5-8-10-12/h3-11,13H,1-2H3/b4-3+,11-6+.
What are the key properties of [(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene?
[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene has a molecular weight of 188.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene is sourced from PubChem (CID 164672506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).