3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene

C15H24 — CID 590260

IUPAC3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(CC(C)(C)C)c1C
InChIInChI=1S/C15H24/c1-10-8-11(2)13(4)14(12(10)3)9-15(5,6)7/h8H,9H2,1-7H3
InChIKeyNBJBCICPHATJNX-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.51
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene

3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene (PubChem CID 590260) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene
PubChem CID590260
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(CC(C)(C)C)c1C
InChIInChI=1S/C15H24/c1-10-8-11(2)13(4)14(12(10)3)9-15(5,6)7/h8H,9H2,1-7H3
InChIKeyNBJBCICPHATJNX-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene (CID 590260) is 3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)c(CC(C)(C)C)c1C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene?
The InChIKey is NBJBCICPHATJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10-8-11(2)13(4)14(12(10)3)9-15(5,6)7/h8H,9H2,1-7H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene?
3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 590260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).