1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene

C20H24 — CID 140770247

IUPAC1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene
SMILESC=Cc1ccccc1C(=C)/C(C)=C/C(C)=C(C)/C=C\C
InChIInChI=1S/C20H24/c1-7-11-15(3)16(4)14-17(5)18(6)20-13-10-9-12-19(20)8-2/h7-14H,2,6H2,1,3-5H3/b11-7-,16-15+,17-14+
InChIKeyIPJUATSCGBNUAQ-CIBLRGRJSA-N
MW264.41 g/mol
LogP6.20
Rot. Bonds5

About 1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene

1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene (PubChem CID 140770247) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene.

Molecular Properties

Compound Name1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene
PubChem CID140770247
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene
SMILESC=Cc1ccccc1C(=C)/C(C)=C/C(C)=C(C)/C=C\C
InChIInChI=1S/C20H24/c1-7-11-15(3)16(4)14-17(5)18(6)20-13-10-9-12-19(20)8-2/h7-14H,2,6H2,1,3-5H3/b11-7-,16-15+,17-14+
InChIKeyIPJUATSCGBNUAQ-CIBLRGRJSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.20
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-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene?
The IUPAC name of 1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene (CID 140770247) is 1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene.
What is the SMILES notation for 1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene?
The canonical SMILES for 1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene is C=Cc1ccccc1C(=C)/C(C)=C/C(C)=C(C)/C=C\C.
What is the InChIKey of 1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene?
The InChIKey is IPJUATSCGBNUAQ-CIBLRGRJSA-N. The full InChI is InChI=1S/C20H24/c1-7-11-15(3)16(4)14-17(5)18(6)20-13-10-9-12-19(20)8-2/h7-14H,2,6H2,1,3-5H3/b11-7-,16-15+,17-14+.
What are the key properties of 1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene?
1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene has a molecular weight of 264.41 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[(3E,5E,7Z)-3,5,6-trimethylnona-1,3,5,7-tetraen-2-yl]benzene is sourced from PubChem (CID 140770247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).