[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene

C15H24 — CID 155717398

IUPAC[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
SMILESC.C/C=C(\C)c1ccccc1.C=C(C)C
InChIInChI=1S/C10H12.C4H8.CH4/c1-3-9(2)10-7-5-4-6-8-10;1-4(2)3;/h3-8H,1-2H3;1H2,2-3H3;1H4/b9-3+;;
InChIKeyGXDZBGKAIBFIMV-GYKBVTDZSA-N
MW204.36 g/mol
LogP5.33
Rot. Bonds1

About [(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene

[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene (PubChem CID 155717398) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene.

Molecular Properties

Compound Name[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
PubChem CID155717398
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
SMILESC.C/C=C(\C)c1ccccc1.C=C(C)C
InChIInChI=1S/C10H12.C4H8.CH4/c1-3-9(2)10-7-5-4-6-8-10;1-4(2)3;/h3-8H,1-2H3;1H2,2-3H3;1H4/b9-3+;;
InChIKeyGXDZBGKAIBFIMV-GYKBVTDZSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
methane;methylphosphane;2-phenylprop-1-enylphosphane;prop-1-en-2-ylbenzene
CID 159485123
benzoic acid;4-but-2-en-2-ylphenol
CID 71383513
(E)-2-phenyl-N,N-bis(trimethylsilyl)prop-1-en-1-amine
CID 12930792
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
1-iodoprop-1-en-2-ylbenzene
CID 54065087
1-bromoprop-1-en-2-ylbenzene
CID 5152757
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
N-[(3E)-4-phenylpenta-1,3-dien-2-yl]aniline
CID 167145828
methane;propane;prop-1-en-2-ylbenzene
CID 145329923

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene?
The IUPAC name of [(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene (CID 155717398) is [(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene.
What is the SMILES notation for [(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene?
The canonical SMILES for [(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene is C.C/C=C(\C)c1ccccc1.C=C(C)C.
What is the InChIKey of [(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene?
The InChIKey is GXDZBGKAIBFIMV-GYKBVTDZSA-N. The full InChI is InChI=1S/C10H12.C4H8.CH4/c1-3-9(2)10-7-5-4-6-8-10;1-4(2)3;/h3-8H,1-2H3;1H2,2-3H3;1H4/b9-3+;;.
What are the key properties of [(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene?
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene has a molecular weight of 204.36 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene is sourced from PubChem (CID 155717398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).