1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene

C17H24 — CID 155591182

IUPAC1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene
SMILESCCC/C(=C\C(C)=C(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H24/c1-6-7-17(12-15(5)13(2)3)16-10-8-14(4)9-11-16/h8-12H,6-7H2,1-5H3/b17-12+
InChIKeyMZXYJYQMTDTFSE-SFQUDFHCSA-N
MW228.38 g/mol
LogP5.53
Rot. Bonds4

About 1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene

1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene (PubChem CID 155591182) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene
PubChem CID155591182
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene
SMILESCCC/C(=C\C(C)=C(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H24/c1-6-7-17(12-15(5)13(2)3)16-10-8-14(4)9-11-16/h8-12H,6-7H2,1-5H3/b17-12+
InChIKeyMZXYJYQMTDTFSE-SFQUDFHCSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.53
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-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
CID 10589610
(Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine
CID 123174116
(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine
CID 12707912
(E)-3-(4-aminophenyl)hex-2-enoic acid
CID 112721870
(E)-3-(4-propylphenyl)hex-2-enoic acid
CID 93185097
1-(4-methylphenyl)ethanone;pentan-2-one;toluene
CID 157441299
1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene
CID 132538169
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene
CID 173389416
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251

Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene?
The IUPAC name of 1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene (CID 155591182) is 1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene?
The canonical SMILES for 1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene is CCC/C(=C\C(C)=C(C)C)c1ccc(C)cc1.
What is the InChIKey of 1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene?
The InChIKey is MZXYJYQMTDTFSE-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H24/c1-6-7-17(12-15(5)13(2)3)16-10-8-14(4)9-11-16/h8-12H,6-7H2,1-5H3/b17-12+.
What are the key properties of 1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene?
1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene has a molecular weight of 228.38 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene is sourced from PubChem (CID 155591182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).