1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene

C16H20 — CID 170954557

IUPAC1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene
SMILESC=C/C(C)=C(\C=C)CCc1ccccc1C
InChIInChI=1S/C16H20/c1-5-13(3)15(6-2)11-12-16-10-8-7-9-14(16)4/h5-10H,1-2,11-12H2,3-4H3/b15-13+
InChIKeyXBOLTYZHOUZCCQ-FYWRMAATSA-N
MW212.34 g/mol
LogP4.62
Rot. Bonds5

About 1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene

1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene (PubChem CID 170954557) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene
PubChem CID170954557
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene
SMILESC=C/C(C)=C(\C=C)CCc1ccccc1C
InChIInChI=1S/C16H20/c1-5-13(3)15(6-2)11-12-16-10-8-7-9-14(16)4/h5-10H,1-2,11-12H2,3-4H3/b15-13+
InChIKeyXBOLTYZHOUZCCQ-FYWRMAATSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.62
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-(3-bromobut-3-enyl)-2-methylbenzene
CID 24721733
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol
CID 169131564
6-methyl-1-(2-methylphenyl)hept-6-en-3-one
CID 105129887
(E)-7-(2,3-dimethylphenyl)-4-ethenyl-5-methylhept-4-en-2-one
CID 144972894
CID 57429570
CID 57429570
5-methyl-7-(2-methylphenyl)hept-4-ene-1-thiol
CID 123865846
1-methyl-2-oct-7-enylbenzene
CID 18786509
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
1-(3,6-dimethylhept-6-enyl)-2-methylbenzene
CID 176975448
ethanol;2-(2-methylphenyl)ethanol
CID 69408748
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene?
The IUPAC name of 1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene (CID 170954557) is 1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene.
What is the SMILES notation for 1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene?
The canonical SMILES for 1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene is C=C/C(C)=C(\C=C)CCc1ccccc1C.
What is the InChIKey of 1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene?
The InChIKey is XBOLTYZHOUZCCQ-FYWRMAATSA-N. The full InChI is InChI=1S/C16H20/c1-5-13(3)15(6-2)11-12-16-10-8-7-9-14(16)4/h5-10H,1-2,11-12H2,3-4H3/b15-13+.
What are the key properties of 1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene?
1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene is sourced from PubChem (CID 170954557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).