2-butan-2-yl-1-ethenyl-3-methylbenzene

C13H18 — CID 150268665

IUPAC2-butan-2-yl-1-ethenyl-3-methylbenzene
SMILESC=Cc1cccc(C)c1C(C)CC
InChIInChI=1S/C13H18/c1-5-10(3)13-11(4)8-7-9-12(13)6-2/h6-10H,2,5H2,1,3-4H3
InChIKeyGDCAFXLYPSBUNU-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.15
Rot. Bonds3

About 2-butan-2-yl-1-ethenyl-3-methylbenzene

2-butan-2-yl-1-ethenyl-3-methylbenzene (PubChem CID 150268665) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-butan-2-yl-1-ethenyl-3-methylbenzene.

Molecular Properties

Compound Name2-butan-2-yl-1-ethenyl-3-methylbenzene
PubChem CID150268665
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-butan-2-yl-1-ethenyl-3-methylbenzene
SMILESC=Cc1cccc(C)c1C(C)CC
InChIInChI=1S/C13H18/c1-5-10(3)13-11(4)8-7-9-12(13)6-2/h6-10H,2,5H2,1,3-4H3
InChIKeyGDCAFXLYPSBUNU-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-ethenyl-3-methylbenzene?
The IUPAC name of 2-butan-2-yl-1-ethenyl-3-methylbenzene (CID 150268665) is 2-butan-2-yl-1-ethenyl-3-methylbenzene.
What is the SMILES notation for 2-butan-2-yl-1-ethenyl-3-methylbenzene?
The canonical SMILES for 2-butan-2-yl-1-ethenyl-3-methylbenzene is C=Cc1cccc(C)c1C(C)CC.
What is the InChIKey of 2-butan-2-yl-1-ethenyl-3-methylbenzene?
The InChIKey is GDCAFXLYPSBUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-5-10(3)13-11(4)8-7-9-12(13)6-2/h6-10H,2,5H2,1,3-4H3.
What are the key properties of 2-butan-2-yl-1-ethenyl-3-methylbenzene?
2-butan-2-yl-1-ethenyl-3-methylbenzene has a molecular weight of 174.29 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-ethenyl-3-methylbenzene is sourced from PubChem (CID 150268665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).