tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane

C74H141NSi — CID 165089253

About tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane

tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane (PubChem CID 165089253) has the molecular formula C74H141NSi and a molecular weight of 1076.05 g/mol. Its IUPAC name is tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane.

Molecular Properties

• Compound Name: tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane
• PubChem CID: 165089253
• Molecular Formula: C74H141NSi
• Molecular Weight: 1076.05 g/mol
• Exact Mass: 1075.10
• IUPAC Name: tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane
• SMILES: C.CC(C)(C)C#N.CC(C)(C)[Si](C)(C)C.CC(C)(C)c1ccccc1.CC(C)C.CC(C)c1cc(C(C)C)c(C(C)(C)C)c(C(C)C)c1.[2H]C(C)(C)C.[2H]C(C)(C)C(C)(C)C.[2H]C(C)(C)c1cccc(C(C)(C)C)c1C(C)(C)C
• InChI: InChI=1S/C19H32.C17H28.C10H14.C7H18Si.C7H16.C5H9N.2C4H10.CH4/c1-12(2)15-10-16(13(3)4)18(19(7,8)9)17(11-15)14(5)6;1-12(2)13-10-9-11-14(16(3,4)5)15(13)17(6,7)8;1-10(2,3)9-7-5-4-6-8-9;1-7(2,3)8(4,5)6;1-6(2)7(3,4)5;1-5(2,3)4-6;2*1-4(2)3;/h10-14H,1-9H3;9-12H,1-8H3;4-8H,1-3H3;1-6H3;6H,1-5H3;1-3H3;2*4H,1-3H3;1H4/i;12D;;;6D;;4D
• InChIKey: WKRCRTGVEFCHGD-XVJLMDCASA-N
• XLogP: 26.07
• TPSA: 23.79 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1076.05
LogP ≤ 5	26.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane?

The IUPAC name of tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane (CID 165089253) is tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane.

What is the SMILES notation for tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane?

The canonical SMILES for tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane is C.CC(C)(C)C#N.CC(C)(C)[Si](C)(C)C.CC(C)(C)c1ccccc1.CC(C)C.CC(C)c1cc(C(C)C)c(C(C)(C)C)c(C(C)C)c1.[2H]C(C)(C)C.[2H]C(C)(C)C(C)(C)C.[2H]C(C)(C)c1cccc(C(C)(C)C)c1C(C)(C)C.

What is the InChIKey of tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane?

The InChIKey is WKRCRTGVEFCHGD-XVJLMDCASA-N. The full InChI is InChI=1S/C19H32.C17H28.C10H14.C7H18Si.C7H16.C5H9N.2C4H10.CH4/c1-12(2)15-10-16(13(3)4)18(19(7,8)9)17(11-15)14(5)6;1-12(2)13-10-9-11-14(16(3,4)5)15(13)17(6,7)8;1-10(2,3)9-7-5-4-6-8-9;1-7(2,3)8(4,5)6;1-6(2)7(3,4)5;1-5(2,3)4-6;2*1-4(2)3;/h10-14H,1-9H3;9-12H,1-8H3;4-8H,1-3H3;1-6H3;6H,1-5H3;1-3H3;2*4H,1-3H3;1H4/i;12D;;;6D;;4D;;.

What are the key properties of tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane?

tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane has a molecular weight of 1076.05 g/mol, XLogP of 26.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;tert-butyl(trimethyl)silane;2-tert-butyl-1,3,5-tri(propan-2-yl)benzene;2-deuterio-2-methylpropane;2-deuterio-2,3,3-trimethylbutane;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene;2,2-dimethylpropanenitrile;methane;2-methylpropane is sourced from PubChem (CID 165089253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).