1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene

C15H18 — CID 143819609

IUPAC1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene
SMILESC=C/C(CC)=C(\C=C)c1ccc(C)cc1
InChIInChI=1S/C15H18/c1-5-13(6-2)15(7-3)14-10-8-12(4)9-11-14/h5,7-11H,1,3,6H2,2,4H3/b15-13-
InChIKeyZBFRRTNLVVCRJC-SQFISAMPSA-N
MW198.31 g/mol
LogP4.53
Rot. Bonds4

About 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene

1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene (PubChem CID 143819609) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene
PubChem CID143819609
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene
SMILESC=C/C(CC)=C(\C=C)c1ccc(C)cc1
InChIInChI=1S/C15H18/c1-5-13(6-2)15(7-3)14-10-8-12(4)9-11-14/h5,7-11H,1,3,6H2,2,4H3/b15-13-
InChIKeyZBFRRTNLVVCRJC-SQFISAMPSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.53
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-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene
CID 143819695
1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142211855
1-methyl-4-[(3E,5Z)-octa-3,5,7-trien-3-yl]benzene
CID 144661005
(3Z)-4-(4-fluorophenyl)hexa-3,5-diene-3-thiol
CID 126611428
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
CID 143743129
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride
CID 10082087
[(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium
CID 6932742
ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene
CID 142494445
1-[(3E,6Z,8Z)-4-ethenyl-2,8-dimethylundeca-1,3,6,8,10-pentaen-3-yl]-4-methylbenzene
CID 143072049
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene?
The IUPAC name of 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene (CID 143819609) is 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene?
The canonical SMILES for 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene is C=C/C(CC)=C(\C=C)c1ccc(C)cc1.
What is the InChIKey of 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene?
The InChIKey is ZBFRRTNLVVCRJC-SQFISAMPSA-N. The full InChI is InChI=1S/C15H18/c1-5-13(6-2)15(7-3)14-10-8-12(4)9-11-14/h5,7-11H,1,3,6H2,2,4H3/b15-13-.
What are the key properties of 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene?
1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene is sourced from PubChem (CID 143819609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).