1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene

C15H22 — CID 143717580

IUPAC1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
SMILESC/C=C(/C)c1ccc(C)cc1C.C=CC
InChIInChI=1S/C12H16.C3H6/c1-5-10(3)12-7-6-9(2)8-11(12)4;1-3-2/h5-8H,1-4H3;3H,1H2,2H3/b10-5-;
InChIKeyAPIDQUWJYMFXLF-WIMVAJRLSA-N
MW202.34 g/mol
LogP4.92
Rot. Bonds1

About 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene

1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene (PubChem CID 143717580) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
PubChem CID143717580
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
SMILESC/C=C(/C)c1ccc(C)cc1C.C=CC
InChIInChI=1S/C12H16.C3H6/c1-5-10(3)12-7-6-9(2)8-11(12)4;1-3-2/h5-8H,1-4H3;3H,1H2,2H3/b10-5-;
InChIKeyAPIDQUWJYMFXLF-WIMVAJRLSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.92
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

1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
CID 168947702
2-[(Z)-but-2-en-2-yl]-5-methylphenol
CID 22825363
(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
CID 146991450
2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene
CID 144777927
1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene
CID 20657013
4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
CID 91045189
(1E)-1-(2,4-dimethylphenyl)buta-1,3-diene-1-sulfinate
CID 146288783
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
4-but-2-en-2-yl-5-methylbenzene-1,2-diol
CID 123309072

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene (CID 143717580) is 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene is C/C=C(/C)c1ccc(C)cc1C.C=CC.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene?
The InChIKey is APIDQUWJYMFXLF-WIMVAJRLSA-N. The full InChI is InChI=1S/C12H16.C3H6/c1-5-10(3)12-7-6-9(2)8-11(12)4;1-3-2/h5-8H,1-4H3;3H,1H2,2H3/b10-5-;.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene?
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene has a molecular weight of 202.34 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene is sourced from PubChem (CID 143717580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).