1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene

C13H18 — CID 178110448

IUPAC1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene
SMILESC/C=C(\C)c1cccc(C)c1CC
InChIInChI=1S/C13H18/c1-5-10(3)13-9-7-8-11(4)12(13)6-2/h5,7-9H,6H2,1-4H3/b10-5+
InChIKeyOUAXXXCNDDTWHT-BJMVGYQFSA-N
MW174.29 g/mol
LogP3.98
Rot. Bonds2

About 1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene

1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene (PubChem CID 178110448) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene
PubChem CID178110448
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene
SMILESC/C=C(\C)c1cccc(C)c1CC
InChIInChI=1S/C13H18/c1-5-10(3)13-9-7-8-11(4)12(13)6-2/h5,7-9H,6H2,1-4H3/b10-5+
InChIKeyOUAXXXCNDDTWHT-BJMVGYQFSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2-ethyl-3-methylphenyl)methanone
CID 141055739
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
2-[(E)-but-2-en-2-yl]-6-methylbenzaldehyde
CID 142437839
N',2-diethyl-3-methylbenzenecarboximidamide
CID 129196541
2-[(Z)-but-2-en-2-yl]-1,3-dimethylbenzene;ethane
CID 144812182
ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene
CID 144910624
5,6-dimethylhept-6-en-2-one;ethane;1-(2-ethyl-3-methylphenyl)ethanone
CID 171802070
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
1-(2-acetyl-6-methylphenyl)propan-2-one
CID 58202287
(2-ethyl-6-methylphenyl)methanol
CID 52987948
(2-ethyl-6-methylphenyl)methylphosphane
CID 68944647
1-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-2-propylbenzene
CID 144613405

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene (CID 178110448) is 1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene is C/C=C(\C)c1cccc(C)c1CC.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene?
The InChIKey is OUAXXXCNDDTWHT-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H18/c1-5-10(3)13-9-7-8-11(4)12(13)6-2/h5,7-9H,6H2,1-4H3/b10-5+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene?
1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.98, 2 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-ethyl-3-methylbenzene is sourced from PubChem (CID 178110448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).