1-[(E)-but-2-en-2-yl]-2-methylbenzene

C11H14 — CID 12835573

IUPAC1-[(E)-but-2-en-2-yl]-2-methylbenzene
SMILESC/C=C(\C)c1ccccc1C
InChIInChI=1S/C11H14/c1-4-9(2)11-8-6-5-7-10(11)3/h4-8H,1-3H3/b9-4+
InChIKeyXBRKARCZXNNHIQ-RUDMXATFSA-N
MW146.23 g/mol
LogP3.42
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-2-methylbenzene

1-[(E)-but-2-en-2-yl]-2-methylbenzene (PubChem CID 12835573) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-2-methylbenzene
PubChem CID12835573
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name1-[(E)-but-2-en-2-yl]-2-methylbenzene
SMILESC/C=C(\C)c1ccccc1C
InChIInChI=1S/C11H14/c1-4-9(2)11-8-6-5-7-10(11)3/h4-8H,1-3H3/b9-4+
InChIKeyXBRKARCZXNNHIQ-RUDMXATFSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
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(E)-1-(2-methylphenyl)prop-1-ene-1-thiol
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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-2-methylbenzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-2-methylbenzene (CID 12835573) is 1-[(E)-but-2-en-2-yl]-2-methylbenzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-2-methylbenzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-2-methylbenzene is C/C=C(\C)c1ccccc1C.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-2-methylbenzene?
The InChIKey is XBRKARCZXNNHIQ-RUDMXATFSA-N. The full InChI is InChI=1S/C11H14/c1-4-9(2)11-8-6-5-7-10(11)3/h4-8H,1-3H3/b9-4+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-2-methylbenzene?
1-[(E)-but-2-en-2-yl]-2-methylbenzene has a molecular weight of 146.23 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-2-methylbenzene is sourced from PubChem (CID 12835573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).