1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene

C24H32 — CID 143048356

IUPAC1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene
SMILESC=C/C(=C\C=C/C)CCC(=C)c1ccc(/C(C)=C/C(C)(C)C)cc1
InChIInChI=1S/C24H32/c1-8-10-11-21(9-2)13-12-19(3)22-14-16-23(17-15-22)20(4)18-24(5,6)7/h8-11,14-18H,2-3,12-13H2,1,4-7H3/b10-8-,20-18+,21-11+
InChIKeyDLFLMUHAENPDBA-NRFYTVAESA-N
MW320.52 g/mol
LogP7.62
Rot. Bonds7

About 1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene

1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene (PubChem CID 143048356) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene.

Molecular Properties

Compound Name1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene
PubChem CID143048356
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene
SMILESC=C/C(=C\C=C/C)CCC(=C)c1ccc(/C(C)=C/C(C)(C)C)cc1
InChIInChI=1S/C24H32/c1-8-10-11-21(9-2)13-12-19(3)22-14-16-23(17-15-22)20(4)18-24(5,6)7/h8-11,14-18H,2-3,12-13H2,1,4-7H3/b10-8-,20-18+,21-11+
InChIKeyDLFLMUHAENPDBA-NRFYTVAESA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 57.62
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-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene?
The IUPAC name of 1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene (CID 143048356) is 1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene.
What is the SMILES notation for 1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene?
The canonical SMILES for 1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene is C=C/C(=C\C=C/C)CCC(=C)c1ccc(/C(C)=C/C(C)(C)C)cc1.
What is the InChIKey of 1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene?
The InChIKey is DLFLMUHAENPDBA-NRFYTVAESA-N. The full InChI is InChI=1S/C24H32/c1-8-10-11-21(9-2)13-12-19(3)22-14-16-23(17-15-22)20(4)18-24(5,6)7/h8-11,14-18H,2-3,12-13H2,1,4-7H3/b10-8-,20-18+,21-11+.
What are the key properties of 1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene?
1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene has a molecular weight of 320.52 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-[(5Z,7Z)-5-ethenylnona-1,5,7-trien-2-yl]benzene is sourced from PubChem (CID 143048356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).