1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene

C19H24 — CID 143740427

IUPAC1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene
SMILESC=C(C)/C=C\C(=C/C)c1ccc(/C(C)=C/CC)cc1
InChIInChI=1S/C19H24/c1-6-8-16(5)18-11-13-19(14-12-18)17(7-2)10-9-15(3)4/h7-14H,3,6H2,1-2,4-5H3/b10-9-,16-8+,17-7+
InChIKeyWPELVVPNLZYDAX-RYFKLEACSA-N
MW252.40 g/mol
LogP6.04
Rot. Bonds5

About 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene

1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene (PubChem CID 143740427) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene
PubChem CID143740427
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene
SMILESC=C(C)/C=C\C(=C/C)c1ccc(/C(C)=C/CC)cc1
InChIInChI=1S/C19H24/c1-6-8-16(5)18-11-13-19(14-12-18)17(7-2)10-9-15(3)4/h7-14H,3,6H2,1-2,4-5H3/b10-9-,16-8+,17-7+
InChIKeyWPELVVPNLZYDAX-RYFKLEACSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 56.04
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)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene?
The IUPAC name of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene (CID 143740427) is 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene.
What is the SMILES notation for 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene?
The canonical SMILES for 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene is C=C(C)/C=C\C(=C/C)c1ccc(/C(C)=C/CC)cc1.
What is the InChIKey of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene?
The InChIKey is WPELVVPNLZYDAX-RYFKLEACSA-N. The full InChI is InChI=1S/C19H24/c1-6-8-16(5)18-11-13-19(14-12-18)17(7-2)10-9-15(3)4/h7-14H,3,6H2,1-2,4-5H3/b10-9-,16-8+,17-7+.
What are the key properties of 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene?
1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene has a molecular weight of 252.40 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene is sourced from PubChem (CID 143740427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).