1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene

C18H24 — CID 163571295

IUPAC1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene
SMILESC=C(C)Cc1cc(C(=C)CC)cc(C(=C)CC)c1
InChIInChI=1S/C18H24/c1-7-14(5)17-10-16(9-13(3)4)11-18(12-17)15(6)8-2/h10-12H,3,5-9H2,1-2,4H3
InChIKeyFZOJNKANAISQNZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.65
Rot. Bonds6

About 1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene

1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene (PubChem CID 163571295) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene.

Molecular Properties

Compound Name1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene
PubChem CID163571295
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene
SMILESC=C(C)Cc1cc(C(=C)CC)cc(C(=C)CC)c1
InChIInChI=1S/C18H24/c1-7-14(5)17-10-16(9-13(3)4)11-18(12-17)15(6)8-2/h10-12H,3,5-9H2,1-2,4H3
InChIKeyFZOJNKANAISQNZ-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene?
The IUPAC name of 1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene (CID 163571295) is 1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene.
What is the SMILES notation for 1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene?
The canonical SMILES for 1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene is C=C(C)Cc1cc(C(=C)CC)cc(C(=C)CC)c1.
What is the InChIKey of 1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene?
The InChIKey is FZOJNKANAISQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-7-14(5)17-10-16(9-13(3)4)11-18(12-17)15(6)8-2/h10-12H,3,5-9H2,1-2,4H3.
What are the key properties of 1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene?
1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene has a molecular weight of 240.39 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene is sourced from PubChem (CID 163571295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).