1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene

C24H30 — CID 171562977

IUPAC1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene
SMILESCCc1ccccc1/C=C(\C)CC/C(C)=C/c1ccccc1CC
InChIInChI=1S/C24H30/c1-5-21-11-7-9-13-23(21)17-19(3)15-16-20(4)18-24-14-10-8-12-22(24)6-2/h7-14,17-18H,5-6,15-16H2,1-4H3/b19-17+,20-18+
InChIKeySIQANKPBVUGUPO-XPWSMXQVSA-N
MW318.50 g/mol
LogP7.10
Rot. Bonds7

About 1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene

1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene (PubChem CID 171562977) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene
PubChem CID171562977
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene
SMILESCCc1ccccc1/C=C(\C)CC/C(C)=C/c1ccccc1CC
InChIInChI=1S/C24H30/c1-5-21-11-7-9-13-23(21)17-19(3)15-16-20(4)18-24-14-10-8-12-22(24)6-2/h7-14,17-18H,5-6,15-16H2,1-4H3/b19-17+,20-18+
InChIKeySIQANKPBVUGUPO-XPWSMXQVSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
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(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
(E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one
CID 71481560
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106
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1-methyl-2-(2-methylbut-1-enyl)benzene
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1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene?
The IUPAC name of 1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene (CID 171562977) is 1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene.
What is the SMILES notation for 1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene?
The canonical SMILES for 1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene is CCc1ccccc1/C=C(\C)CC/C(C)=C/c1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene?
The InChIKey is SIQANKPBVUGUPO-XPWSMXQVSA-N. The full InChI is InChI=1S/C24H30/c1-5-21-11-7-9-13-23(21)17-19(3)15-16-20(4)18-24-14-10-8-12-22(24)6-2/h7-14,17-18H,5-6,15-16H2,1-4H3/b19-17+,20-18+.
What are the key properties of 1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene?
1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene has a molecular weight of 318.50 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene is sourced from PubChem (CID 171562977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).