1-ethenyl-2-(2-ethylbutyl)benzene

C14H20 — CID 22475782

IUPAC1-ethenyl-2-(2-ethylbutyl)benzene
SMILESC=Cc1ccccc1CC(CC)CC
InChIInChI=1S/C14H20/c1-4-12(5-2)11-14-10-8-7-9-13(14)6-3/h6-10,12H,3-5,11H2,1-2H3
InChIKeyYPBLZYBDPZEEKG-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.31
Rot. Bonds5

About 1-ethenyl-2-(2-ethylbutyl)benzene

1-ethenyl-2-(2-ethylbutyl)benzene (PubChem CID 22475782) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-ethenyl-2-(2-ethylbutyl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-(2-ethylbutyl)benzene
PubChem CID22475782
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-ethenyl-2-(2-ethylbutyl)benzene
SMILESC=Cc1ccccc1CC(CC)CC
InChIInChI=1S/C14H20/c1-4-12(5-2)11-14-10-8-7-9-13(14)6-3/h6-10,12H,3-5,11H2,1-2H3
InChIKeyYPBLZYBDPZEEKG-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(2-ethylbutyl)benzene?
The IUPAC name of 1-ethenyl-2-(2-ethylbutyl)benzene (CID 22475782) is 1-ethenyl-2-(2-ethylbutyl)benzene.
What is the SMILES notation for 1-ethenyl-2-(2-ethylbutyl)benzene?
The canonical SMILES for 1-ethenyl-2-(2-ethylbutyl)benzene is C=Cc1ccccc1CC(CC)CC.
What is the InChIKey of 1-ethenyl-2-(2-ethylbutyl)benzene?
The InChIKey is YPBLZYBDPZEEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-4-12(5-2)11-14-10-8-7-9-13(14)6-3/h6-10,12H,3-5,11H2,1-2H3.
What are the key properties of 1-ethenyl-2-(2-ethylbutyl)benzene?
1-ethenyl-2-(2-ethylbutyl)benzene has a molecular weight of 188.31 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(2-ethylbutyl)benzene is sourced from PubChem (CID 22475782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).