ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene

C16H28 — CID 163218853

IUPACethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)c(C)cc1C.CC.CC
InChIInChI=1S/C12H16.2C2H6/c1-8(2)12-7-10(4)9(3)6-11(12)5;2*1-2/h6-7H,1H2,2-5H3;2*1-2H3
InChIKeyLWGBWRGJLBSJRG-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.70
Rot. Bonds1

About ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene

ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene (PubChem CID 163218853) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene
PubChem CID163218853
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nameethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)c(C)cc1C.CC.CC
InChIInChI=1S/C12H16.2C2H6/c1-8(2)12-7-10(4)9(3)6-11(12)5;2*1-2/h6-7H,1H2,2-5H3;2*1-2H3
InChIKeyLWGBWRGJLBSJRG-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane
CID 177043564
ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene
CID 166473604
2,4-dimethyl-5-prop-1-en-2-ylbenzenethiol
CID 142349679
1-(2,4,5-trimethylphenyl)ethenamine
CID 134277556
1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene
CID 169185434
1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene
CID 100987679
4-methyl-3-prop-1-en-2-ylbenzenethiol
CID 142019930
1,2,4-trimethyl-5-[1-(2,4,6-trimethylphenyl)ethenyl]benzene
CID 102082358
actinium;3-methyl-4-prop-1-en-2-ylphenol
CID 20669254
ethane;methane;1,2,4,5-tetramethylbenzene
CID 144520627
ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene
CID 142349539
2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol
CID 10749539

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene?
The IUPAC name of ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene (CID 163218853) is ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene.
What is the SMILES notation for ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene?
The canonical SMILES for ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene is C=C(C)c1cc(C)c(C)cc1C.CC.CC.
What is the InChIKey of ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene?
The InChIKey is LWGBWRGJLBSJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.2C2H6/c1-8(2)12-7-10(4)9(3)6-11(12)5;2*1-2/h6-7H,1H2,2-5H3;2*1-2H3.
What are the key properties of ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene?
ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene has a molecular weight of 220.40 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene is sourced from PubChem (CID 163218853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).