1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene

C14H22 — CID 59048816

IUPAC1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene
SMILESCCc1ccc(C(C)C(C)(C)C)cc1
InChIInChI=1S/C14H22/c1-6-12-7-9-13(10-8-12)11(2)14(3,4)5/h7-11H,6H2,1-5H3
InChIKeyHHFPMOMSXYPTRW-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.40
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene

1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene (PubChem CID 59048816) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene
PubChem CID59048816
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene
SMILESCCc1ccc(C(C)C(C)(C)C)cc1
InChIInChI=1S/C14H22/c1-6-12-7-9-13(10-8-12)11(2)14(3,4)5/h7-11H,6H2,1-5H3
InChIKeyHHFPMOMSXYPTRW-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(3,3-dimethylbutan-2-yl)-4-iodobenzene
CID 176738844
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
3-(4-ethylphenyl)butan-2-amine
CID 66439374
N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 107444712
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-tert-butyl-4-ethylbenzene
CID 157359507
1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol
CID 65132157

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene (CID 59048816) is 1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene is CCc1ccc(C(C)C(C)(C)C)cc1.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene?
The InChIKey is HHFPMOMSXYPTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-6-12-7-9-13(10-8-12)11(2)14(3,4)5/h7-11H,6H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene?
1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene is sourced from PubChem (CID 59048816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).