1-tert-butyl-4-(2-methylpent-2-enyl)benzene

C16H24 — CID 57230599

IUPAC1-tert-butyl-4-(2-methylpent-2-enyl)benzene
SMILESCCC=C(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24/c1-6-7-13(2)12-14-8-10-15(11-9-14)16(3,4)5/h7-11H,6,12H2,1-5H3
InChIKeyFKEPIGXIRHYORZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.88
Rot. Bonds3

About 1-tert-butyl-4-(2-methylpent-2-enyl)benzene

1-tert-butyl-4-(2-methylpent-2-enyl)benzene (PubChem CID 57230599) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methylpent-2-enyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methylpent-2-enyl)benzene
PubChem CID57230599
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-tert-butyl-4-(2-methylpent-2-enyl)benzene
SMILESCCC=C(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24/c1-6-7-13(2)12-14-8-10-15(11-9-14)16(3,4)5/h7-11H,6,12H2,1-5H3
InChIKeyFKEPIGXIRHYORZ-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-(3-methoxy-2-methylprop-2-enyl)benzene
CID 67159636
1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene
CID 142910049
[(E)-3-(4-tert-butylphenyl)-2-methylprop-1-enoxy]-ethenyl-dimethylsilane
CID 54324109
N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine
CID 69219667
1-tert-butyl-4-ethylbenzene
CID 157359507
butyl [(E)-3-(4-tert-butylphenyl)-2-methylprop-1-enyl] carbonate
CID 70143823
[(E)-3-(4-tert-butylphenyl)-2-methylprop-1-enyl] 3-phenylpropanoate
CID 15838342
ethenyl 2-(4-tert-butylphenyl)acetate
CID 141004101
1-(2-bromoprop-2-enyl)-4-tert-butylbenzene
CID 2756861
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene
CID 79603113
1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene
CID 82255100

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methylpent-2-enyl)benzene?
The IUPAC name of 1-tert-butyl-4-(2-methylpent-2-enyl)benzene (CID 57230599) is 1-tert-butyl-4-(2-methylpent-2-enyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(2-methylpent-2-enyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(2-methylpent-2-enyl)benzene is CCC=C(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(2-methylpent-2-enyl)benzene?
The InChIKey is FKEPIGXIRHYORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-6-7-13(2)12-14-8-10-15(11-9-14)16(3,4)5/h7-11H,6,12H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(2-methylpent-2-enyl)benzene?
1-tert-butyl-4-(2-methylpent-2-enyl)benzene has a molecular weight of 216.37 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methylpent-2-enyl)benzene is sourced from PubChem (CID 57230599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).