[(E)-5,5-dimethoxyhex-3-enyl]benzene

C14H20O2 — CID 10656559

IUPAC[(E)-5,5-dimethoxyhex-3-enyl]benzene
SMILESCOC(C)(/C=C/CCc1ccccc1)OC
InChIInChI=1S/C14H20O2/c1-14(15-2,16-3)12-8-7-11-13-9-5-4-6-10-13/h4-6,8-10,12H,7,11H2,1-3H3/b12-8+
InChIKeyUADZDEXAZQFZOD-XYOKQWHBSA-N
MW220.31 g/mol
LogP3.18
Rot. Bonds6

About [(E)-5,5-dimethoxyhex-3-enyl]benzene

[(E)-5,5-dimethoxyhex-3-enyl]benzene (PubChem CID 10656559) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(E)-5,5-dimethoxyhex-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-5,5-dimethoxyhex-3-enyl]benzene
PubChem CID10656559
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(E)-5,5-dimethoxyhex-3-enyl]benzene
SMILESCOC(C)(/C=C/CCc1ccccc1)OC
InChIInChI=1S/C14H20O2/c1-14(15-2,16-3)12-8-7-11-13-9-5-4-6-10-13/h4-6,8-10,12H,7,11H2,1-3H3/b12-8+
InChIKeyUADZDEXAZQFZOD-XYOKQWHBSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-phenylhex-3-en-2-ol
CID 73102528
[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene
CID 134879348
tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane
CID 102572986
pent-3-enylbenzene
CID 519421
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
hepta-3,5-dienylbenzene
CID 54230830
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
dimethyl (Z)-2,3-bis[(E)-4-phenylbut-1-enyl]but-2-enedioate
CID 11211860
[(E)-5-chloropent-3-enyl]benzene
CID 101263863
2-methoxy-2-methyl-4-phenylbutanal
CID 105446188
N-methoxy-3-phenylpropan-1-imine
CID 73200493

Frequently Asked Questions

What is the IUPAC name of [(E)-5,5-dimethoxyhex-3-enyl]benzene?
The IUPAC name of [(E)-5,5-dimethoxyhex-3-enyl]benzene (CID 10656559) is [(E)-5,5-dimethoxyhex-3-enyl]benzene.
What is the SMILES notation for [(E)-5,5-dimethoxyhex-3-enyl]benzene?
The canonical SMILES for [(E)-5,5-dimethoxyhex-3-enyl]benzene is COC(C)(/C=C/CCc1ccccc1)OC.
What is the InChIKey of [(E)-5,5-dimethoxyhex-3-enyl]benzene?
The InChIKey is UADZDEXAZQFZOD-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(15-2,16-3)12-8-7-11-13-9-5-4-6-10-13/h4-6,8-10,12H,7,11H2,1-3H3/b12-8+.
What are the key properties of [(E)-5,5-dimethoxyhex-3-enyl]benzene?
[(E)-5,5-dimethoxyhex-3-enyl]benzene has a molecular weight of 220.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5,5-dimethoxyhex-3-enyl]benzene is sourced from PubChem (CID 10656559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).