1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene

C23H26 — CID 142012376

IUPAC1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene
SMILESCc1ccc(/C=C\C2=CC=C(C3=CC=CCC3C)C(C)C2)cc1
InChIInChI=1S/C23H26/c1-17-8-10-20(11-9-17)12-13-21-14-15-23(19(3)16-21)22-7-5-4-6-18(22)2/h4-5,7-15,18-19H,6,16H2,1-3H3/b13-12-
InChIKeyVREIHMQSOUKIKK-SEYXRHQNSA-N
MW302.46 g/mol
LogP6.42
Rot. Bonds3

About 1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene

1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene (PubChem CID 142012376) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene
PubChem CID142012376
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene
SMILESCc1ccc(/C=C\C2=CC=C(C3=CC=CCC3C)C(C)C2)cc1
InChIInChI=1S/C23H26/c1-17-8-10-20(11-9-17)12-13-21-14-15-23(19(3)16-21)22-7-5-4-6-18(22)2/h4-5,7-15,18-19H,6,16H2,1-3H3/b13-12-
InChIKeyVREIHMQSOUKIKK-SEYXRHQNSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(E)-2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]-7-[(E)-2-(4-methylphenyl)ethenyl]dibenzofuran
CID 89171856
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine
CID 143707425
1-methyl-4-[(2-methylcyclopropylidene)methyl]benzene
CID 57279235
1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
CID 163557331
(5S)-5-(4-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]cyclohex-2-en-1-one
CID 139087378
1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene
CID 143018171
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine
CID 156510300
1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene
CID 71384042

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene?
The IUPAC name of 1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene (CID 142012376) is 1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene.
What is the SMILES notation for 1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene?
The canonical SMILES for 1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene is Cc1ccc(/C=C\C2=CC=C(C3=CC=CCC3C)C(C)C2)cc1.
What is the InChIKey of 1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene?
The InChIKey is VREIHMQSOUKIKK-SEYXRHQNSA-N. The full InChI is InChI=1S/C23H26/c1-17-8-10-20(11-9-17)12-13-21-14-15-23(19(3)16-21)22-7-5-4-6-18(22)2/h4-5,7-15,18-19H,6,16H2,1-3H3/b13-12-.
What are the key properties of 1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene?
1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene has a molecular weight of 302.46 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene is sourced from PubChem (CID 142012376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).