2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane

C78H182 — CID 167658483

About 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane

2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane (PubChem CID 167658483) has the molecular formula C78H182 and a molecular weight of 1132.39 g/mol. Its IUPAC name is 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane.

Molecular Properties

• Compound Name: 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane
• PubChem CID: 167658483
• Molecular Formula: C78H182
• Molecular Weight: 1132.39 g/mol
• Exact Mass: 1131.50
• IUPAC Name: 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane
• SMILES: CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)CC(C)C.CCC.CCC(C)C.CCC(CC)C(C)C.CCCC(C)C.CCCCCC(C)C.[2H]C(C)(C)C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])([2H])C(C)C.[2H]C([2H])([2H])C([2H])(C(C)C)C([2H])([2H])C
• InChI: InChI=1S/2C8H18.4C7H16.3C6H14.C5H12.2C4H10.C3H8/c1-5-8(6-2)7(3)4;1-4-5-6-7-8(2)3;1-6(2)7(3,4)5;2*1-6(2)5-7(3)4;1-5-7(4)6(2)3;2*1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;2*1-4(2)3;1-3-2/h7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;6H,1-5H3;3*6-7H,5H2,1-4H3;2*5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;2*4H,1-3H3;3H2,1-2H3/i;;;5D2;;4D3,5D2,7D;5D;;;;1D3
• InChIKey: RPQQPBZWQFAPTE-PRKKPRGSSA-N
• XLogP: 30.89
• TPSA: 0.00 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1132.39
LogP ≤ 5	30.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane?

The IUPAC name of 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane (CID 167658483) is 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane.

What is the SMILES notation for 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane?

The canonical SMILES for 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane is CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)CC(C)C.CCC.CCC(C)C.CCC(CC)C(C)C.CCCC(C)C.CCCCCC(C)C.[2H]C(C)(C)C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])([2H])C(C)C.[2H]C([2H])([2H])C([2H])(C(C)C)C([2H])([2H])C.

What is the InChIKey of 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane?

The InChIKey is RPQQPBZWQFAPTE-PRKKPRGSSA-N. The full InChI is InChI=1S/2C8H18.4C7H16.3C6H14.C5H12.2C4H10.C3H8/c1-5-8(6-2)7(3)4;1-4-5-6-7-8(2)3;1-6(2)7(3,4)5;2*1-6(2)5-7(3)4;1-5-7(4)6(2)3;2*1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;2*1-4(2)3;1-3-2/h7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;6H,1-5H3;3*6-7H,5H2,1-4H3;2*5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;2*4H,1-3H3;3H2,1-2H3/i;;;5D2;;4D3,5D2,7D;5D;;;;1D3;;.

What are the key properties of 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane?

2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane has a molecular weight of 1132.39 g/mol, XLogP of 30.89, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-deuterio-2,3-dimethylbutane;3,3-dideuterio-2,4-dimethylpentane;2,3-dimethylbutane;2,4-dimethylpentane;3-ethyl-2-methylpentane;2-methylbutane;2-methylheptane;2-methylpentane;2-methylpropane;propane;1,1,1-trideuterio-2-methylpropane;2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane;2,2,3-trimethylbutane is sourced from PubChem (CID 167658483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).