ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene

C17H24 — CID 142879843

IUPACethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene
SMILESC/C=C\C=C/C=C/Cc1ccc(C)cc1.CC
InChIInChI=1S/C15H18.C2H6/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15;1-2/h3-8,10-13H,9H2,1-2H3;1-2H3/b4-3-,6-5-,8-7+;
InChIKeyOZQUJNOBBODQHE-ZZJXELOHSA-N
MW228.38 g/mol
LogP5.25
Rot. Bonds4

About ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene

ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene (PubChem CID 142879843) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene
PubChem CID142879843
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene
SMILESC/C=C\C=C/C=C/Cc1ccc(C)cc1.CC
InChIInChI=1S/C15H18.C2H6/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15;1-2/h3-8,10-13H,9H2,1-2H3;1-2H3/b4-3-,6-5-,8-7+;
InChIKeyOZQUJNOBBODQHE-ZZJXELOHSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.25
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-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
CID 59812345
1-methyl-4-(5-methylhex-2-enyl)benzene
CID 91610142
ethane;ethenone;2-methyl-4-[(2Z,4Z,6Z)-octa-2,4,6-trienyl]-1-[(Z)-prop-1-enyl]benzene
CID 142867979
1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene
CID 145008709
1-hex-2-enyl-4-methylbenzene
CID 54148468
4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline
CID 134257110
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium
CID 101206039
1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene
CID 144660679
5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3-dihydrobenzimidazole-2-thione
CID 89122903
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
(E)-4-(4-methylphenyl)but-2-enamide
CID 131236926

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene?
The IUPAC name of ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene (CID 142879843) is ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene is C/C=C\C=C/C=C/Cc1ccc(C)cc1.CC.
What is the InChIKey of ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene?
The InChIKey is OZQUJNOBBODQHE-ZZJXELOHSA-N. The full InChI is InChI=1S/C15H18.C2H6/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15;1-2/h3-8,10-13H,9H2,1-2H3;1-2H3/b4-3-,6-5-,8-7+;.
What are the key properties of ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene?
ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene has a molecular weight of 228.38 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene is sourced from PubChem (CID 142879843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).