2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene

C13H18 — CID 144671874

IUPAC2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene
SMILESCC/C(C)=C\c1ccc(C)cc1C
InChIInChI=1S/C13H18/c1-5-10(2)9-13-7-6-11(3)8-12(13)4/h6-9H,5H2,1-4H3/b10-9-
InChIKeyPFRBNBSFHYOROB-KTKRTIGZSA-N
MW174.29 g/mol
LogP4.12
Rot. Bonds2

About 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene

2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene (PubChem CID 144671874) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene
PubChem CID144671874
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene
SMILESCC/C(C)=C\c1ccc(C)cc1C
InChIInChI=1S/C13H18/c1-5-10(2)9-13-7-6-11(3)8-12(13)4/h6-9H,5H2,1-4H3/b10-9-
InChIKeyPFRBNBSFHYOROB-KTKRTIGZSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane
CID 143194755
1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258
acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene
CID 142986074
5-[3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]sulfonyl-1H-pyrazole
CID 174286557
1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine
CID 137417502
1-ethenyl-2,4-dimethylbenzene
CID 157285903
3-(4-fluoro-2-methylphenyl)-2-methylprop-2-en-1-amine
CID 79330402
ethyl (E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoate
CID 767569
2-[2-(chloromethyl)but-1-enyl]-1,4-dimethylbenzene
CID 79334693
(Z,2S,3R,4R,5R)-7-(2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 141130875
2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene
CID 76948829
1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene
CID 142233895

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene?
The IUPAC name of 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene (CID 144671874) is 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene is CC/C(C)=C\c1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene?
The InChIKey is PFRBNBSFHYOROB-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H18/c1-5-10(2)9-13-7-6-11(3)8-12(13)4/h6-9H,5H2,1-4H3/b10-9-.
What are the key properties of 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene?
2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene is sourced from PubChem (CID 144671874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).