1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene

C25H32 — CID 143032355

IUPAC1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene
SMILESC=C(C/C(C=C(C)C)=C/C(C)=C/C)c1ccc(/C(C)=C/C=C\C)cc1
InChIInChI=1S/C25H32/c1-8-10-11-21(6)24-12-14-25(15-13-24)22(7)18-23(16-19(3)4)17-20(5)9-2/h8-17H,7,18H2,1-6H3/b10-8-,20-9+,21-11+,23-17+
InChIKeyOMMJFWHELMIYQQ-RSDPWEHBSA-N
MW332.53 g/mol
LogP7.93
Rot. Bonds7

About 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene

1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene (PubChem CID 143032355) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene
PubChem CID143032355
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene
SMILESC=C(C/C(C=C(C)C)=C/C(C)=C/C)c1ccc(/C(C)=C/C=C\C)cc1
InChIInChI=1S/C25H32/c1-8-10-11-21(6)24-12-14-25(15-13-24)22(7)18-23(16-19(3)4)17-20(5)9-2/h8-17H,7,18H2,1-6H3/b10-8-,20-9+,21-11+,23-17+
InChIKeyOMMJFWHELMIYQQ-RSDPWEHBSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene (CID 143032355) is 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene is C=C(C/C(C=C(C)C)=C/C(C)=C/C)c1ccc(/C(C)=C/C=C\C)cc1.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene?
The InChIKey is OMMJFWHELMIYQQ-RSDPWEHBSA-N. The full InChI is InChI=1S/C25H32/c1-8-10-11-21(6)24-12-14-25(15-13-24)22(7)18-23(16-19(3)4)17-20(5)9-2/h8-17H,7,18H2,1-6H3/b10-8-,20-9+,21-11+,23-17+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene?
1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene has a molecular weight of 332.53 g/mol, XLogP of 7.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene is sourced from PubChem (CID 143032355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).