1-but-2-en-2-yl-4-methylbenzene

C11H14 — CID 12583115

IUPAC1-but-2-en-2-yl-4-methylbenzene
SMILESCC=C(C)c1ccc(C)cc1
InChIInChI=1S/C11H14/c1-4-10(3)11-7-5-9(2)6-8-11/h4-8H,1-3H3
InChIKeyDXUWNFYPTIECOG-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.42
Rot. Bonds1

About 1-but-2-en-2-yl-4-methylbenzene

1-but-2-en-2-yl-4-methylbenzene (PubChem CID 12583115) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-but-2-en-2-yl-4-methylbenzene.

Molecular Properties

Compound Name1-but-2-en-2-yl-4-methylbenzene
PubChem CID12583115
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name1-but-2-en-2-yl-4-methylbenzene
SMILESCC=C(C)c1ccc(C)cc1
InChIInChI=1S/C11H14/c1-4-10(3)11-7-5-9(2)6-8-11/h4-8H,1-3H3
InChIKeyDXUWNFYPTIECOG-UHFFFAOYSA-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

1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
CID 177055008
CID 177055008
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
(Z)-1,3-bis(4-methylphenyl)but-2-en-1-one
CID 98548443
1-(4-methylphenyl)prop-1-en-1-ol
CID 67275749
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
1-[(E)-but-2-en-2-yl]-4-methylbenzene;ethane;(3Z)-3-ethenyl-2,4,5-trimethylhexa-1,3-diene;2-methylprop-1-ene
CID 143393762
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene
CID 23652184
1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
CID 10589610

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yl-4-methylbenzene?
The IUPAC name of 1-but-2-en-2-yl-4-methylbenzene (CID 12583115) is 1-but-2-en-2-yl-4-methylbenzene.
What is the SMILES notation for 1-but-2-en-2-yl-4-methylbenzene?
The canonical SMILES for 1-but-2-en-2-yl-4-methylbenzene is CC=C(C)c1ccc(C)cc1.
What is the InChIKey of 1-but-2-en-2-yl-4-methylbenzene?
The InChIKey is DXUWNFYPTIECOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-4-10(3)11-7-5-9(2)6-8-11/h4-8H,1-3H3.
What are the key properties of 1-but-2-en-2-yl-4-methylbenzene?
1-but-2-en-2-yl-4-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-but-2-en-2-yl-4-methylbenzene is sourced from PubChem (CID 12583115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).