1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane

C61H90 — CID 143472512

About 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane

1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane (PubChem CID 143472512) has the molecular formula C61H90 and a molecular weight of 823.39 g/mol. Its IUPAC name is 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane.

Molecular Properties

• Compound Name: 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane
• PubChem CID: 143472512
• Molecular Formula: C61H90
• Molecular Weight: 823.39 g/mol
• Exact Mass: 822.70
• IUPAC Name: 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane
• SMILES: C.C=C(C)c1ccc(C)c(C(C)(C)C)c1.C=C(CC)c1cccc(CC)c1.CC(C)(C)C.CC(C)(C)C.Cc1ccc(CC(C)(c2cccc(C)c2)c2cccc(C)c2)cc1
• InChI: InChI=1S/C24H26.C14H20.C12H16.2C5H12.CH4/c1-18-11-13-21(14-12-18)17-24(4,22-9-5-7-19(2)15-22)23-10-6-8-20(3)16-23;1-10(2)12-8-7-11(3)13(9-12)14(4,5)6;1-4-10(3)12-8-6-7-11(5-2)9-12;2*1-5(2,3)4;/h5-16H,17H2,1-4H3;7-9H,1H2,2-6H3;6-9H,3-5H2,1-2H3;2*1-4H3;1H4
• InChIKey: MZGXOLWEYSSHDO-UHFFFAOYSA-N
• XLogP: 18.90
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.39
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane?

The IUPAC name of 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane (CID 143472512) is 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane.

What is the SMILES notation for 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane?

The canonical SMILES for 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane is C.C=C(C)c1ccc(C)c(C(C)(C)C)c1.C=C(CC)c1cccc(CC)c1.CC(C)(C)C.CC(C)(C)C.Cc1ccc(CC(C)(c2cccc(C)c2)c2cccc(C)c2)cc1.

What is the InChIKey of 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane?

The InChIKey is MZGXOLWEYSSHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26.C14H20.C12H16.2C5H12.CH4/c1-18-11-13-21(14-12-18)17-24(4,22-9-5-7-19(2)15-22)23-10-6-8-20(3)16-23;1-10(2)12-8-7-11(3)13(9-12)14(4,5)6;1-4-10(3)12-8-6-7-11(5-2)9-12;2*1-5(2,3)4;/h5-16H,17H2,1-4H3;7-9H,1H2,2-6H3;6-9H,3-5H2,1-2H3;2*1-4H3;1H4.

What are the key properties of 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane?

1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane has a molecular weight of 823.39 g/mol, XLogP of 18.90, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane is sourced from PubChem (CID 143472512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).