1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene

C22H28 — CID 19908653

IUPAC1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene
SMILESC=Cc1cc(C)ccc1C.C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H16.C10H12/c1-5-10-6-8-11(9-7-10)12(2,3)4;1-4-10-7-8(2)5-6-9(10)3/h5-9H,1H2,2-4H3;4-7H,1H2,2-3H3
InChIKeyATEILXDEEWOQRE-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.57
Rot. Bonds2

About 1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene

1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene (PubChem CID 19908653) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene
PubChem CID19908653
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene
SMILESC=Cc1cc(C)ccc1C.C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H16.C10H12/c1-5-10-6-8-11(9-7-10)12(2,3)4;1-4-10-7-8(2)5-6-9(10)3/h5-9H,1H2,2-4H3;4-7H,1H2,2-3H3
InChIKeyATEILXDEEWOQRE-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene?
The IUPAC name of 1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene (CID 19908653) is 1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene.
What is the SMILES notation for 1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene?
The canonical SMILES for 1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene is C=Cc1cc(C)ccc1C.C=Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene?
The InChIKey is ATEILXDEEWOQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C10H12/c1-5-10-6-8-11(9-7-10)12(2,3)4;1-4-10-7-8(2)5-6-9(10)3/h5-9H,1H2,2-4H3;4-7H,1H2,2-3H3.
What are the key properties of 1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene?
1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene has a molecular weight of 292.47 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene is sourced from PubChem (CID 19908653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).