2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene

C32H48 — CID 158801354

About 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene

2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene (PubChem CID 158801354) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
• PubChem CID: 158801354
• Molecular Formula: C32H48
• Molecular Weight: 432.74 g/mol
• Exact Mass: 432.38
• IUPAC Name: 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
• SMILES: C.Cc1ccc(C(C)C)c(C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
• InChI: InChI=1S/C11H16.2C10H14.CH4/c1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;/h5-8H,1-4H3;2*4-8H,1-3H3;1H4
• InChIKey: ITNIYOGVENZRRL-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.74
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene?

The IUPAC name of 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene (CID 158801354) is 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene.

What is the SMILES notation for 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene?

The canonical SMILES for 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene is C.Cc1ccc(C(C)C)c(C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.

What is the InChIKey of 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene?

The InChIKey is ITNIYOGVENZRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.2C10H14.CH4/c1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;/h5-8H,1-4H3;2*4-8H,1-3H3;1H4.

What are the key properties of 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene?

2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene has a molecular weight of 432.74 g/mol, XLogP of 10.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene is sourced from PubChem (CID 158801354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).