4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene

C17H26 — CID 144814038

IUPAC4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene
SMILESC=Cc1ccc(C(C)(C)C)cc1C(C)CCC
InChIInChI=1S/C17H26/c1-7-9-13(3)16-12-15(17(4,5)6)11-10-14(16)8-2/h8,10-13H,2,7,9H2,1,3-6H3
InChIKeyJQCDIDHRQKVBRI-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.53
Rot. Bonds4

About 4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene

4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene (PubChem CID 144814038) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene.

Molecular Properties

Compound Name4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene
PubChem CID144814038
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene
SMILESC=Cc1ccc(C(C)(C)C)cc1C(C)CCC
InChIInChI=1S/C17H26/c1-7-9-13(3)16-12-15(17(4,5)6)11-10-14(16)8-2/h8,10-13H,2,7,9H2,1,3-6H3
InChIKeyJQCDIDHRQKVBRI-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene?
The IUPAC name of 4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene (CID 144814038) is 4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene.
What is the SMILES notation for 4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene?
The canonical SMILES for 4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene is C=Cc1ccc(C(C)(C)C)cc1C(C)CCC.
What is the InChIKey of 4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene?
The InChIKey is JQCDIDHRQKVBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-7-9-13(3)16-12-15(17(4,5)6)11-10-14(16)8-2/h8,10-13H,2,7,9H2,1,3-6H3.
What are the key properties of 4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene?
4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene has a molecular weight of 230.39 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene is sourced from PubChem (CID 144814038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).