1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene

C16H20 — CID 144820853

IUPAC1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
SMILESC/C=C\C(C)=C(/C=C\C)c1ccccc1C
InChIInChI=1S/C16H20/c1-5-9-13(3)15(10-6-2)16-12-8-7-11-14(16)4/h5-12H,1-4H3/b9-5-,10-6-,15-13+
InChIKeyDZGXYQKABYMHMD-OTLFKURESA-N
MW212.34 g/mol
LogP4.92
Rot. Bonds3

About 1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene

1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene (PubChem CID 144820853) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
PubChem CID144820853
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
SMILESC/C=C\C(C)=C(/C=C\C)c1ccccc1C
InChIInChI=1S/C16H20/c1-5-9-13(3)15(10-6-2)16-12-8-7-11-14(16)4/h5-12H,1-4H3/b9-5-,10-6-,15-13+
InChIKeyDZGXYQKABYMHMD-OTLFKURESA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene
CID 142414325
1-(3-ethenylhepta-1,3,5-trien-4-yl)-2-methylbenzene
CID 123213362
1-[(2Z,4E)-5,7-dimethylocta-2,4,7-trien-4-yl]-2-methylbenzene;ethane
CID 144660459
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-2-propylbenzene
CID 144613405
ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene
CID 144536414
1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
N-[(3E,5Z,7Z)-4-methyl-2-(2-methylphenyl)nona-1,3,5,7-tetraen-3-yl]ethanimine
CID 143722164
(E)-1-(2-methylphenyl)prop-1-ene-1-thiol
CID 142259115
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655
N-methylidene-2-(2-methylphenyl)-2-oxoacetamide
CID 135366239
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene?
The IUPAC name of 1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene (CID 144820853) is 1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene.
What is the SMILES notation for 1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene?
The canonical SMILES for 1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene is C/C=C\C(C)=C(/C=C\C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene?
The InChIKey is DZGXYQKABYMHMD-OTLFKURESA-N. The full InChI is InChI=1S/C16H20/c1-5-9-13(3)15(10-6-2)16-12-8-7-11-14(16)4/h5-12H,1-4H3/b9-5-,10-6-,15-13+.
What are the key properties of 1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene?
1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene has a molecular weight of 212.34 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene is sourced from PubChem (CID 144820853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).