1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene

C14H16 — CID 142964933

IUPAC1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene
SMILESC=C/C(C)=C\C=C\c1ccc(C)cc1
InChIInChI=1S/C14H16/c1-4-12(2)6-5-7-14-10-8-13(3)9-11-14/h4-11H,1H2,2-3H3/b7-5+,12-6-
InChIKeyVTNPAFJMNJIUMP-AJBKOCBKSA-N
MW184.28 g/mol
LogP4.14
Rot. Bonds3

About 1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene

1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene (PubChem CID 142964933) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene
PubChem CID142964933
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene
SMILESC=C/C(C)=C\C=C\c1ccc(C)cc1
InChIInChI=1S/C14H16/c1-4-12(2)6-5-7-14-10-8-13(3)9-11-14/h4-11H,1H2,2-3H3/b7-5+,12-6-
InChIKeyVTNPAFJMNJIUMP-AJBKOCBKSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.14
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-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane
CID 142174237
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
CID 143762679
1-methyl-4-[3,7,12,16-tetramethyl-18-(4-methylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzene
CID 153329326
1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene
CID 54269613
4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
CID 87425519
1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
CID 142164883
1-methyl-4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]oxybenzene
CID 167286021
1-[(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-yl]-4-methylbenzene
CID 169209291
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
(2E,4Z)-2,5-dimethyl-1-(4-methylphenyl)hepta-2,4,6-trien-1-one
CID 170245795
1-ethenyl-4-methylbenzene;2-methylbuta-1,3-diene;2-methylprop-1-ene
CID 159294849

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene?
The IUPAC name of 1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene (CID 142964933) is 1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene.
What is the SMILES notation for 1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene?
The canonical SMILES for 1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene is C=C/C(C)=C\C=C\c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene?
The InChIKey is VTNPAFJMNJIUMP-AJBKOCBKSA-N. The full InChI is InChI=1S/C14H16/c1-4-12(2)6-5-7-14-10-8-13(3)9-11-14/h4-11H,1H2,2-3H3/b7-5+,12-6-.
What are the key properties of 1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene?
1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene has a molecular weight of 184.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 142964933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).