1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene

C22H26 — CID 10589610

IUPAC1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
SMILESC/C=C(/CC/C(=C/C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H26/c1-5-19(21-11-7-17(3)8-12-21)15-16-20(6-2)22-13-9-18(4)10-14-22/h5-14H,15-16H2,1-4H3/b19-5-,20-6-
InChIKeyUAVXADRUCQBBPD-FDWQPRGYSA-N
MW290.45 g/mol
LogP6.59
Rot. Bonds5

About 1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene

1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene (PubChem CID 10589610) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
PubChem CID10589610
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
SMILESC/C=C(/CC/C(=C/C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H26/c1-5-19(21-11-7-17(3)8-12-21)15-16-20(6-2)22-13-9-18(4)10-14-22/h5-14H,15-16H2,1-4H3/b19-5-,20-6-
InChIKeyUAVXADRUCQBBPD-FDWQPRGYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
1-(4-methylphenyl)prop-1-en-1-ol
CID 67275749
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
(E)-3-fluoro-2-(4-methylphenyl)prop-2-en-1-ol
CID 70428635
1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene
CID 155591182
(E)-6-(4-methylphenyl)hept-5-en-2-one
CID 15742291
acetaldehyde;4-methylbenzoic acid
CID 88694515
4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol
CID 59197895
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721
1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 175983739
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene?
The IUPAC name of 1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene (CID 10589610) is 1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene?
The canonical SMILES for 1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene is C/C=C(/CC/C(=C/C)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene?
The InChIKey is UAVXADRUCQBBPD-FDWQPRGYSA-N. The full InChI is InChI=1S/C22H26/c1-5-19(21-11-7-17(3)8-12-21)15-16-20(6-2)22-13-9-18(4)10-14-22/h5-14H,15-16H2,1-4H3/b19-5-,20-6-.
What are the key properties of 1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene?
1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene has a molecular weight of 290.45 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene is sourced from PubChem (CID 10589610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).