1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane

C15H26 — CID 142109558

IUPAC1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane
SMILESCC.Cc1ccc(C(C)(C)C(C)C)cc1
InChIInChI=1S/C13H20.C2H6/c1-10(2)13(4,5)12-8-6-11(3)7-9-12;1-2/h6-10H,1-5H3;1-2H3
InChIKeySKYXALRERFVTDG-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.95
Rot. Bonds2

About 1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane

1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane (PubChem CID 142109558) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane
PubChem CID142109558
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane
SMILESCC.Cc1ccc(C(C)(C)C(C)C)cc1
InChIInChI=1S/C13H20.C2H6/c1-10(2)13(4,5)12-8-6-11(3)7-9-12;1-2/h6-10H,1-5H3;1-2H3
InChIKeySKYXALRERFVTDG-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane
CID 145287481
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol
CID 125487298
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
1-tert-butyl-4-methylbenzene
CID 163486601
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096
1-(2,3-dimethylbutan-2-yl)-4-nitrobenzene
CID 121011525
ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene
CID 90984706
1-(2,3-dimethylbutan-2-yl)-3,5-difluorobenzene
CID 146551648
2-(4-methylphenyl)propan-2-yl 2-methylpropanoate
CID 170276277
2-(2,3-dimethylbutan-2-yl)anthracene
CID 173439325

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane (CID 142109558) is 1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane is CC.Cc1ccc(C(C)(C)C(C)C)cc1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane?
The InChIKey is SKYXALRERFVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C2H6/c1-10(2)13(4,5)12-8-6-11(3)7-9-12;1-2/h6-10H,1-5H3;1-2H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane?
1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane has a molecular weight of 206.37 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane is sourced from PubChem (CID 142109558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).