2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene

C72H140 — CID 165039675

IUPAC2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene
SMILESCC.CC(C)(C)C.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1c(C(C)C)cccc1C(C)C.Cc1cc(C)c(C)c(C)c1.[2H]C(C)(C)C.[2H]C([2H])(C)C(C)(C)C.[2H]C([2H])(C)C(C)C.[2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])C.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])C
InChIInChI=1S/C16H26.C13H20.C10H14.2C6H14.3C5H12.C4H10.C2H6/c1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-7-5-8(2)10(4)9(3)6-7;2*1-5-6(2,3)4;1-5(2,3)4;2*1-4-5(2)3;1-4(2)3;1-2/h8-12H,1-7H3;6-10H,1-5H3;5-6H,1-4H3;2*5H2,1-4H3;1-4H3;2*5H,4H2,1-3H3;4H,1-3H3;1-2H3/i;;;2D3,3D3,5D2;5D2;;2D3,4D2,5D;4D2;4D;
InChIKeyNXRDFGIPEUFLKE-LYMILLFBSA-N
MW1025.03 g/mol
LogP26.26
Rot. Bonds8

About 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene

2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene (PubChem CID 165039675) has the molecular formula C72H140 and a molecular weight of 1025.03 g/mol. Its IUPAC name is 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene.

Molecular Properties

Compound Name2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene
PubChem CID165039675
Molecular FormulaC72H140
Molecular Weight1025.03 g/mol
Exact Mass1024.21
IUPAC Name2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene
SMILESCC.CC(C)(C)C.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1c(C(C)C)cccc1C(C)C.Cc1cc(C)c(C)c(C)c1.[2H]C(C)(C)C.[2H]C([2H])(C)C(C)(C)C.[2H]C([2H])(C)C(C)C.[2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])C.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])C
InChIInChI=1S/C16H26.C13H20.C10H14.2C6H14.3C5H12.C4H10.C2H6/c1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-7-5-8(2)10(4)9(3)6-7;2*1-5-6(2,3)4;1-5(2,3)4;2*1-4-5(2)3;1-4(2)3;1-2/h8-12H,1-7H3;6-10H,1-5H3;5-6H,1-4H3;2*5H2,1-4H3;1-4H3;2*5H,4H2,1-3H3;4H,1-3H3;1-2H3/i;;;2D3,3D3,5D2;5D2;;2D3,4D2,5D;4D2;4D;
InChIKeyNXRDFGIPEUFLKE-LYMILLFBSA-N
XLogP26.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.03
LogP ≤ 526.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene with MolForge

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Related Compounds

1,3-dichloro-2-methylbenzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-triethyl-2-methylbenzene;bis(1,2,3-trimethylbenzene);dihydrate
CID 159748866
1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1,3-ditert-butyl-2-methylbenzene;1,3-ditert-butyl-5-methylbenzene;1-methyl-3,5-di(propan-2-yl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,3,5-trimethylbenzene
CID 161417547
2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,4-xylene
CID 161236987
1,1,1,2,3,3-hexadeuterio-2-(trideuteriomethyl)butane;methylcyclopentane;2-methylpentane;1,2,3,5-tetramethylbenzene;toluene;1,1,1-trideuterio-2-(trideuteriomethyl)butane;1,2,3-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 159557649
2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene
CID 164948047
1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;2-methyl-1,3,5-tris(1,1,1,2-tetradeuteriopropan-2-yl)benzene
CID 167665468
CID 15486274
CID 15486274
1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride
CID 177342998
cumene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;2,2-dimethylpropane;1-methyladamantane;2-methylbutane;methylcyclohexane;1-methylnaphthalene;2-methylpropane;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene
CID 161394079
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene
CID 158893317
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene?
The IUPAC name of 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene (CID 165039675) is 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene.
What is the SMILES notation for 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene?
The canonical SMILES for 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene is CC.CC(C)(C)C.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1c(C(C)C)cccc1C(C)C.Cc1cc(C)c(C)c(C)c1.[2H]C(C)(C)C.[2H]C([2H])(C)C(C)(C)C.[2H]C([2H])(C)C(C)C.[2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])C.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])C.
What is the InChIKey of 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene?
The InChIKey is NXRDFGIPEUFLKE-LYMILLFBSA-N. The full InChI is InChI=1S/C16H26.C13H20.C10H14.2C6H14.3C5H12.C4H10.C2H6/c1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-7-5-8(2)10(4)9(3)6-7;2*1-5-6(2,3)4;1-5(2,3)4;2*1-4-5(2)3;1-4(2)3;1-2/h8-12H,1-7H3;6-10H,1-5H3;5-6H,1-4H3;2*5H2,1-4H3;1-4H3;2*5H,4H2,1-3H3;4H,1-3H3;1-2H3/i;;;2D3,3D3,5D2;5D2;;2D3,4D2,5D;4D2;4D;.
What are the key properties of 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene?
2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene has a molecular weight of 1025.03 g/mol, XLogP of 26.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;1,1,1,2,3,3-hexadeuterio-2-methylbutane;2-methyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,1,1,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)butane;1,2,3,5-tetramethylbenzene is sourced from PubChem (CID 165039675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).