1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene

C22H26 — CID 143072049

IUPAC1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene
SMILESC=C/C=C(C)\C=C/C/C(C=C)=C(/C(=C)C)c1ccc(C)cc1
InChIInChI=1S/C22H26/c1-7-10-18(5)11-9-12-20(8-2)22(17(3)4)21-15-13-19(6)14-16-21/h7-11,13-16H,1-3,12H2,4-6H3/b11-9-,18-10-,22-20-
InChIKeyKXIIJUHSLWUFQZ-YBZSSUEOSA-N
MW290.45 g/mol
LogP6.59
Rot. Bonds7

About 1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene

1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene (PubChem CID 143072049) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene
PubChem CID143072049
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene
SMILESC=C/C=C(C)\C=C/C/C(C=C)=C(/C(=C)C)c1ccc(C)cc1
InChIInChI=1S/C22H26/c1-7-10-18(5)11-9-12-20(8-2)22(17(3)4)21-15-13-19(6)14-16-21/h7-11,13-16H,1-3,12H2,4-6H3/b11-9-,18-10-,22-20-
InChIKeyKXIIJUHSLWUFQZ-YBZSSUEOSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.59
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-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene
CID 143819609
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
1-[(E)-but-1-enyl]-3-methylbenzene;(3Z)-3-methylhexa-1,3,5-triene
CID 142163059
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492
ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene
CID 166162236
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
6-methyl-2-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]oxepane;5-methyl-2-(4-methylphenyl)-1,3-dioxane
CID 143266144
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
(7E,9E,11E)-7,10-bis(ethenyl)-11,14-dimethyl-6-methylidenepentadeca-1,3,7,9,11,14-hexaene;1,4-xylene
CID 142975589
1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane
CID 142174237

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene?
The IUPAC name of 1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene (CID 143072049) is 1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene?
The canonical SMILES for 1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene is C=C/C=C(C)\C=C/C/C(C=C)=C(/C(=C)C)c1ccc(C)cc1.
What is the InChIKey of 1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene?
The InChIKey is KXIIJUHSLWUFQZ-YBZSSUEOSA-N. The full InChI is InChI=1S/C22H26/c1-7-10-18(5)11-9-12-20(8-2)22(17(3)4)21-15-13-19(6)14-16-21/h7-11,13-16H,1-3,12H2,4-6H3/b11-9-,18-10-,22-20-.
What are the key properties of 1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene?
1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene has a molecular weight of 290.45 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene is sourced from PubChem (CID 143072049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).