1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene

C23H28 — CID 143119388

IUPAC1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene
SMILESC/C=C(C)\C=C/CC(C)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H28/c1-6-18(2)8-7-17-23(5,21-13-9-19(3)10-14-21)22-15-11-20(4)12-16-22/h6-16H,17H2,1-5H3/b8-7-,18-6-
InChIKeyGKBHMCRSAUUQJS-ODECTHOPSA-N
MW304.48 g/mol
LogP6.52
Rot. Bonds5

About 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene

1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene (PubChem CID 143119388) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene
PubChem CID143119388
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene
SMILESC/C=C(C)\C=C/CC(C)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H28/c1-6-18(2)8-7-17-23(5,21-13-9-19(3)10-14-21)22-15-11-20(4)12-16-22/h6-16H,17H2,1-5H3/b8-7-,18-6-
InChIKeyGKBHMCRSAUUQJS-ODECTHOPSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.52
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-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene
CID 143022578
ethyl (Z,5R)-5-hydroxy-5-(4-methylphenyl)hex-2-enoate
CID 134979599
(2S)-6-methyl-2-(4-methylphenyl)hept-5-en-2-ol
CID 46845040
1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene
CID 177060087
1-tert-butyl-4-methylbenzene
CID 163486601
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene
CID 145118363
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
(2Z,7Z)-3,7-dimethylnona-2,4,7-triene
CID 143472362
3-methyl-3-(4-methylphenyl)pentanedioic acid
CID 13396095
4-(4-methylphenyl)hepta-1,6-dien-4-ol
CID 12982478

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene (CID 143119388) is 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene is C/C=C(C)\C=C/CC(C)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene?
The InChIKey is GKBHMCRSAUUQJS-ODECTHOPSA-N. The full InChI is InChI=1S/C23H28/c1-6-18(2)8-7-17-23(5,21-13-9-19(3)10-14-21)22-15-11-20(4)12-16-22/h6-16H,17H2,1-5H3/b8-7-,18-6-.
What are the key properties of 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene?
1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene has a molecular weight of 304.48 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene is sourced from PubChem (CID 143119388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).