ethane;4-ethenyl-1,2-dimethylbenzene

C12H18 — CID 142852203

IUPACethane;4-ethenyl-1,2-dimethylbenzene
SMILESC=Cc1ccc(C)c(C)c1.CC
InChIInChI=1S/C10H12.C2H6/c1-4-10-6-5-8(2)9(3)7-10;1-2/h4-7H,1H2,2-3H3;1-2H3
InChIKeyGAKZQVCDPWNGFR-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.97
Rot. Bonds1

About ethane;4-ethenyl-1,2-dimethylbenzene

ethane;4-ethenyl-1,2-dimethylbenzene (PubChem CID 142852203) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is ethane;4-ethenyl-1,2-dimethylbenzene.

Molecular Properties

Compound Nameethane;4-ethenyl-1,2-dimethylbenzene
PubChem CID142852203
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Nameethane;4-ethenyl-1,2-dimethylbenzene
SMILESC=Cc1ccc(C)c(C)c1.CC
InChIInChI=1S/C10H12.C2H6/c1-4-10-6-5-8(2)9(3)7-10;1-2/h4-7H,1H2,2-3H3;1-2H3
InChIKeyGAKZQVCDPWNGFR-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(ethenyl)-2-methylbenzene;dihydrate
CID 134586695
4-ethenyl-2-fluoro-1-methylbenzene
CID 20708999
2-(bromomethyl)-4-ethenyl-1-methylbenzene
CID 139992255
2-(4-ethenyl-2-methylphenyl)propan-2-amine
CID 87184185
1-(chloromethyl)-4-ethenyl-2-methylbenzene
CID 19883805
2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride
CID 173026090
1-(5-ethenyl-2-methylphenyl)ethanone
CID 143958265
4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene
CID 135010442
4-ethenyl-2-methylphenol;styrene
CID 158833032
2-(5-ethenyl-2-methylphenyl)ethanamine
CID 130050820
CID 174884210
CID 174884210
2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene
CID 172879658

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-1,2-dimethylbenzene?
The IUPAC name of ethane;4-ethenyl-1,2-dimethylbenzene (CID 142852203) is ethane;4-ethenyl-1,2-dimethylbenzene.
What is the SMILES notation for ethane;4-ethenyl-1,2-dimethylbenzene?
The canonical SMILES for ethane;4-ethenyl-1,2-dimethylbenzene is C=Cc1ccc(C)c(C)c1.CC.
What is the InChIKey of ethane;4-ethenyl-1,2-dimethylbenzene?
The InChIKey is GAKZQVCDPWNGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C2H6/c1-4-10-6-5-8(2)9(3)7-10;1-2/h4-7H,1H2,2-3H3;1-2H3.
What are the key properties of ethane;4-ethenyl-1,2-dimethylbenzene?
ethane;4-ethenyl-1,2-dimethylbenzene has a molecular weight of 162.28 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-1,2-dimethylbenzene is sourced from PubChem (CID 142852203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).