1-tert-butyl-4-ethenylbenzene

C12H16 — CID 15627

IUPAC1-tert-butyl-4-ethenylbenzene
SMILESC=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3
InChIKeyQEDJMOONZLUIMC-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.63
Rot. Bonds1

About 1-tert-butyl-4-ethenylbenzene

1-tert-butyl-4-ethenylbenzene (PubChem CID 15627) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-tert-butyl-4-ethenylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-ethenylbenzene
PubChem CID15627
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-tert-butyl-4-ethenylbenzene
SMILESC=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3
InChIKeyQEDJMOONZLUIMC-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethenylbenzene?
The IUPAC name of 1-tert-butyl-4-ethenylbenzene (CID 15627) is 1-tert-butyl-4-ethenylbenzene.
What is the SMILES notation for 1-tert-butyl-4-ethenylbenzene?
The canonical SMILES for 1-tert-butyl-4-ethenylbenzene is C=Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-ethenylbenzene?
The InChIKey is QEDJMOONZLUIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3.
What are the key properties of 1-tert-butyl-4-ethenylbenzene?
1-tert-butyl-4-ethenylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.63, 1 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 is sourced from PubChem (CID 15627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).