4-(2-ethylbutyl)-1,2-dimethylbenzene

C14H22 — CID 91377891

IUPAC4-(2-ethylbutyl)-1,2-dimethylbenzene
SMILESCCC(CC)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H22/c1-5-13(6-2)10-14-8-7-11(3)12(4)9-14/h7-9,13H,5-6,10H2,1-4H3
InChIKeyWTCMQKZNMMEQRY-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.28
Rot. Bonds4

About 4-(2-ethylbutyl)-1,2-dimethylbenzene

4-(2-ethylbutyl)-1,2-dimethylbenzene (PubChem CID 91377891) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-(2-ethylbutyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(2-ethylbutyl)-1,2-dimethylbenzene
PubChem CID91377891
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name4-(2-ethylbutyl)-1,2-dimethylbenzene
SMILESCCC(CC)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H22/c1-5-13(6-2)10-14-8-7-11(3)12(4)9-14/h7-9,13H,5-6,10H2,1-4H3
InChIKeyWTCMQKZNMMEQRY-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2-bromobutyl)-1,2-dimethylbenzene
CID 63542735
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146
1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
CID 82923315
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
2-[(3,4-dimethylphenyl)methyl]-N-propylpentan-1-amine
CID 63497107
4-[2-(bromomethyl)-3-(4-bromophenyl)propyl]-1,2-dimethylbenzene
CID 66041895
(2R)-2-[(3,4-dimethylphenyl)methyl]butanoic acid
CID 94240674
[1-(3,4-dimethylphenyl)-3-methylpentan-2-yl]hydrazine
CID 105215198
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
CID 115250742

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(2-ethylbutyl)-1,2-dimethylbenzene (CID 91377891) is 4-(2-ethylbutyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(2-ethylbutyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(2-ethylbutyl)-1,2-dimethylbenzene is CCC(CC)Cc1ccc(C)c(C)c1.
What is the InChIKey of 4-(2-ethylbutyl)-1,2-dimethylbenzene?
The InChIKey is WTCMQKZNMMEQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-5-13(6-2)10-14-8-7-11(3)12(4)9-14/h7-9,13H,5-6,10H2,1-4H3.
What are the key properties of 4-(2-ethylbutyl)-1,2-dimethylbenzene?
4-(2-ethylbutyl)-1,2-dimethylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutyl)-1,2-dimethylbenzene is sourced from PubChem (CID 91377891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).