4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane

C15H26 — CID 157353786

IUPAC4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
SMILESCC.Cc1ccc(CC(C)(C)C)cc1C
InChIInChI=1S/C13H20.C2H6/c1-10-6-7-12(8-11(10)2)9-13(3,4)5;1-2/h6-8H,9H2,1-5H3;1-2H3
InChIKeyBHVLHBFLYIDZTR-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.92
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane

4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane (PubChem CID 157353786) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
PubChem CID157353786
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
SMILESCC.Cc1ccc(CC(C)(C)C)cc1C
InChIInChI=1S/C13H20.C2H6/c1-10-6-7-12(8-11(10)2)9-13(3,4)5;1-2/h6-8H,9H2,1-5H3;1-2H3
InChIKeyBHVLHBFLYIDZTR-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
CID 162137474
1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
CID 134199507
[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol
CID 118313545
1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene
CID 162223528
4-[2-[(3,4-dimethylphenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2-dimethylbenzene
CID 126515390
4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
CID 163976840
4-[2,2-bis(bromomethyl)-3-methylbutyl]-1,2-dimethylbenzene
CID 79456026
2,7-bis(2,2-dimethylpropyl)naphthalene
CID 147176407
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene
CID 62903326
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane?
The IUPAC name of 4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane (CID 157353786) is 4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane is CC.Cc1ccc(CC(C)(C)C)cc1C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane?
The InChIKey is BHVLHBFLYIDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C2H6/c1-10-6-7-12(8-11(10)2)9-13(3,4)5;1-2/h6-8H,9H2,1-5H3;1-2H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane?
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane has a molecular weight of 206.37 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane is sourced from PubChem (CID 157353786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).