ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene

C16H26 — CID 143654751

IUPACethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene
SMILESC=Cc1ccccc1C=C(C)C.CC.CC
InChIInChI=1S/C12H14.2C2H6/c1-4-11-7-5-6-8-12(11)9-10(2)3;2*1-2/h4-9H,1H2,2-3H3;2*1-2H3
InChIKeyXIQVGDJGDGXQDD-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.81
Rot. Bonds2

About ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene

ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene (PubChem CID 143654751) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene.

Molecular Properties

Compound Nameethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene
PubChem CID143654751
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Nameethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene
SMILESC=Cc1ccccc1C=C(C)C.CC.CC
InChIInChI=1S/C12H14.2C2H6/c1-4-11-7-5-6-8-12(11)9-10(2)3;2*1-2/h4-9H,1H2,2-3H3;2*1-2H3
InChIKeyXIQVGDJGDGXQDD-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene?
The IUPAC name of ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene (CID 143654751) is ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene.
What is the SMILES notation for ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene?
The canonical SMILES for ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene is C=Cc1ccccc1C=C(C)C.CC.CC.
What is the InChIKey of ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene?
The InChIKey is XIQVGDJGDGXQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.2C2H6/c1-4-11-7-5-6-8-12(11)9-10(2)3;2*1-2/h4-9H,1H2,2-3H3;2*1-2H3.
What are the key properties of ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene?
ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene has a molecular weight of 218.38 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene is sourced from PubChem (CID 143654751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).