[(E)-6-methoxyhex-5-enyl]benzene

C13H18O — CID 15155292

IUPAC[(E)-6-methoxyhex-5-enyl]benzene
SMILESCO/C=C/CCCCc1ccccc1
InChIInChI=1S/C13H18O/c1-14-12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-8,10-12H,2-3,5,9H2,1H3/b12-8+
InChIKeyUULPMUJCRSFJHE-XYOKQWHBSA-N
MW190.29 g/mol
LogP3.56
Rot. Bonds6

About [(E)-6-methoxyhex-5-enyl]benzene

[(E)-6-methoxyhex-5-enyl]benzene (PubChem CID 15155292) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is [(E)-6-methoxyhex-5-enyl]benzene.

Molecular Properties

Compound Name[(E)-6-methoxyhex-5-enyl]benzene
PubChem CID15155292
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name[(E)-6-methoxyhex-5-enyl]benzene
SMILESCO/C=C/CCCCc1ccccc1
InChIInChI=1S/C13H18O/c1-14-12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-8,10-12H,2-3,5,9H2,1H3/b12-8+
InChIKeyUULPMUJCRSFJHE-XYOKQWHBSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pentylbenzene
CID 10864
Hexylbenzene
CID 14109
Methyl phenethyl ether
CID 19089
Dodecylbenzene
CID 31237
Undecylbenzene
CID 23194
Decylbenzene
CID 7716
Octylbenzene
CID 16607
n-Nonylbenzene
CID 14126
Heptylbenzene
CID 14115
Ethyl styryl ether
CID 5383414
Butyl phenethyl ether
CID 79240
(2-Methylbutyl)benzene
CID 107203

Frequently Asked Questions

What is the IUPAC name of [(E)-6-methoxyhex-5-enyl]benzene?
The IUPAC name of [(E)-6-methoxyhex-5-enyl]benzene (CID 15155292) is [(E)-6-methoxyhex-5-enyl]benzene.
What is the SMILES notation for [(E)-6-methoxyhex-5-enyl]benzene?
The canonical SMILES for [(E)-6-methoxyhex-5-enyl]benzene is CO/C=C/CCCCc1ccccc1.
What is the InChIKey of [(E)-6-methoxyhex-5-enyl]benzene?
The InChIKey is UULPMUJCRSFJHE-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H18O/c1-14-12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-8,10-12H,2-3,5,9H2,1H3/b12-8+.
What are the key properties of [(E)-6-methoxyhex-5-enyl]benzene?
[(E)-6-methoxyhex-5-enyl]benzene has a molecular weight of 190.29 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-methoxyhex-5-enyl]benzene is sourced from PubChem (CID 15155292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).