1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene

C24H28 — CID 142906504

IUPAC1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene
SMILESC/C=C\CC(=C\C)/C(=C\c1cccc(C)c1)c1ccccc1CC
InChIInChI=1S/C24H28/c1-5-8-14-22(7-3)24(18-20-13-11-12-19(4)17-20)23-16-10-9-15-21(23)6-2/h5,7-13,15-18H,6,14H2,1-4H3/b8-5-,22-7+,24-18+
InChIKeyYTGNKGCARSZZBF-KYNKDTLHSA-N
MW316.49 g/mol
LogP7.01
Rot. Bonds6

About 1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene

1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene (PubChem CID 142906504) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene
PubChem CID142906504
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene
SMILESC/C=C\CC(=C\C)/C(=C\c1cccc(C)c1)c1ccccc1CC
InChIInChI=1S/C24H28/c1-5-8-14-22(7-3)24(18-20-13-11-12-19(4)17-20)23-16-10-9-15-21(23)6-2/h5,7-13,15-18H,6,14H2,1-4H3/b8-5-,22-7+,24-18+
InChIKeyYTGNKGCARSZZBF-KYNKDTLHSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone
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2-ethylphenol;1,3-xylene
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3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol
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(E)-4-methyl-5-(3-methylphenyl)pent-4-enal
CID 58390610
3-methyl-4-(3-methylphenyl)but-3-en-2-one
CID 67408279
(E)-1-(3-methylphenyl)hept-1-en-3-one
CID 102346622
ethyl (2E)-2-[(3-methylphenyl)methylidene]hex-5-enoate
CID 102172344
1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene
CID 166642881
1-[1-(2-ethylphenyl)ethenyl]-2,4-dimethylbenzene
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ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene?
The IUPAC name of 1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene (CID 142906504) is 1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene.
What is the SMILES notation for 1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene?
The canonical SMILES for 1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene is C/C=C\CC(=C\C)/C(=C\c1cccc(C)c1)c1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene?
The InChIKey is YTGNKGCARSZZBF-KYNKDTLHSA-N. The full InChI is InChI=1S/C24H28/c1-5-8-14-22(7-3)24(18-20-13-11-12-19(4)17-20)23-16-10-9-15-21(23)6-2/h5,7-13,15-18H,6,14H2,1-4H3/b8-5-,22-7+,24-18+.
What are the key properties of 1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene?
1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene has a molecular weight of 316.49 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1E,3E,5Z)-3-ethylidene-1-(3-methylphenyl)hepta-1,5-dien-2-yl]benzene is sourced from PubChem (CID 142906504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).