2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene

C18H24 — CID 142542320

IUPAC2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene
SMILESC=Cc1c(C)cc(C)cc1/C=C(CC)\C(C)=C\C
InChIInChI=1S/C18H24/c1-7-14(5)16(8-2)12-17-11-13(4)10-15(6)18(17)9-3/h7,9-12H,3,8H2,1-2,4-6H3/b14-7+,16-12-
InChIKeyYISPFZXJEWZEQG-QOCBPWLBSA-N
MW240.39 g/mol
LogP5.71
Rot. Bonds4

About 2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene

2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene (PubChem CID 142542320) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene
PubChem CID142542320
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene
SMILESC=Cc1c(C)cc(C)cc1/C=C(CC)\C(C)=C\C
InChIInChI=1S/C18H24/c1-7-14(5)16(8-2)12-17-11-13(4)10-15(6)18(17)9-3/h7,9-12H,3,8H2,1-2,4-6H3/b14-7+,16-12-
InChIKeyYISPFZXJEWZEQG-QOCBPWLBSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.71
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 2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene?
The IUPAC name of 2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene (CID 142542320) is 2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene.
What is the SMILES notation for 2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene?
The canonical SMILES for 2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene is C=Cc1c(C)cc(C)cc1/C=C(CC)\C(C)=C\C.
What is the InChIKey of 2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene?
The InChIKey is YISPFZXJEWZEQG-QOCBPWLBSA-N. The full InChI is InChI=1S/C18H24/c1-7-14(5)16(8-2)12-17-11-13(4)10-15(6)18(17)9-3/h7,9-12H,3,8H2,1-2,4-6H3/b14-7+,16-12-.
What are the key properties of 2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene?
2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene has a molecular weight of 240.39 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene is sourced from PubChem (CID 142542320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).