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

C17H22 — CID 156737958

IUPAC1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene
SMILESC=C/C(=C\C=C(C)C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H22/c1-6-16(8-7-13(2)3)12-17-10-14(4)9-15(5)11-17/h6-11H,1,12H2,2-5H3/b16-8+
InChIKeySTJFPUDDSXUFNT-LZYBPNLTSA-N
MW226.36 g/mol
LogP4.92
Rot. Bonds4

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

1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene (PubChem CID 156737958) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene
PubChem CID156737958
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene
SMILESC=C/C(=C\C=C(C)C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H22/c1-6-16(8-7-13(2)3)12-17-10-14(4)9-15(5)11-17/h6-11H,1,12H2,2-5H3/b16-8+
InChIKeySTJFPUDDSXUFNT-LZYBPNLTSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
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-(3,5-dimethylphenyl)-3-methylbut-3-en-2-one
CID 79189598
ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene
CID 143985958
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600
3-amino-1-(3,5-dimethylphenyl)hex-5-en-2-one
CID 116606800
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
1-(3,5-dimethylphenyl)-3,3-dimethylbutan-2-one
CID 22558548
[2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite
CID 143947874
1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene
CID 71422497
1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone
CID 169302964
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane
CID 143940150
N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527856
1-(3,5-dimethylphenyl)-3-methoxy-3-methylpentan-2-one
CID 116746640

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene (CID 156737958) is 1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene is C=C/C(=C\C=C(C)C)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene?
The InChIKey is STJFPUDDSXUFNT-LZYBPNLTSA-N. The full InChI is InChI=1S/C17H22/c1-6-16(8-7-13(2)3)12-17-10-14(4)9-15(5)11-17/h6-11H,1,12H2,2-5H3/b16-8+.
What are the key properties of 1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene?
1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene has a molecular weight of 226.36 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene is sourced from PubChem (CID 156737958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).