1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane

C19H26 — CID 142174237

IUPAC1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane
SMILESC=C/C(C)=C\C=C(C)\C=C\c1ccc(C)cc1.CC
InChIInChI=1S/C17H20.C2H6/c1-5-14(2)6-7-15(3)8-11-17-12-9-16(4)10-13-17;1-2/h5-13H,1H2,2-4H3;1-2H3/b11-8+,14-6-,15-7+;
InChIKeyZSLRXWGMIZTFMA-VKSQKOAFSA-N
MW254.42 g/mol
LogP6.11
Rot. Bonds4

About 1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane

1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane (PubChem CID 142174237) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane.

Molecular Properties

Compound Name1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane
PubChem CID142174237
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane
SMILESC=C/C(C)=C\C=C(C)\C=C\c1ccc(C)cc1.CC
InChIInChI=1S/C17H20.C2H6/c1-5-14(2)6-7-15(3)8-11-17-12-9-16(4)10-13-17;1-2/h5-13H,1H2,2-4H3;1-2H3/b11-8+,14-6-,15-7+;
InChIKeyZSLRXWGMIZTFMA-VKSQKOAFSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 56.11
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-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene
CID 142964933
1-methyl-4-[3,7,12,16-tetramethyl-18-(4-methylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzene
CID 153329326
1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
CID 142164883
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
1-methyl-4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]oxybenzene
CID 167286021
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
CID 143762679
1-[(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-yl]-4-methylbenzene
CID 169209291
(2E,4Z)-2,5-dimethyl-1-(4-methylphenyl)hepta-2,4,6-trien-1-one
CID 170245795
ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane?
The IUPAC name of 1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane (CID 142174237) is 1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane.
What is the SMILES notation for 1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane?
The canonical SMILES for 1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane is C=C/C(C)=C\C=C(C)\C=C\c1ccc(C)cc1.CC.
What is the InChIKey of 1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane?
The InChIKey is ZSLRXWGMIZTFMA-VKSQKOAFSA-N. The full InChI is InChI=1S/C17H20.C2H6/c1-5-14(2)6-7-15(3)8-11-17-12-9-16(4)10-13-17;1-2/h5-13H,1H2,2-4H3;1-2H3/b11-8+,14-6-,15-7+;.
What are the key properties of 1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane?
1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane has a molecular weight of 254.42 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane is sourced from PubChem (CID 142174237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).