1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene

C107H132 — CID 158011390

IUPAC1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene
SMILESCC(C)c1cccc(-c2ccccc2)c1C(C)C.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccccc1C(C)C.[2H]C(C)(C)c1ccccc1C(C)C.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])c2C(C)C)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccccc2C(C)C)c([2H])c1[2H]
InChIInChI=1S/C22H22.C18H22.2C15H16.C13H20.2C12H18/c1-16(2)22-20(18-10-5-4-6-11-18)13-8-14-21(22)19-12-7-9-17(3)15-19;1-13(2)16-11-8-12-17(18(16)14(3)4)15-9-6-5-7-10-15;2*1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-10(2)11-8-6-7-9-12(11)13(3,4)5;2*1-9(2)11-7-5-6-8-12(11)10(3)4/h4-16H,1-3H3;5-14H,1-4H3;2*3-12H,1-2H3;6-10H,1-5H3;2*5-10H,1-4H3/i4D,5D,6D,7D,9D,10D,11D,12D,15D;;3D,4D,5D,8D,9D;;;9D;
InChIKeyFEXSRNLVYNIKEB-QWFUTFMOSA-N
MW1433.32 g/mol
LogP32.98
Rot. Bonds15

About 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene

1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene (PubChem CID 158011390) has the molecular formula C107H132 and a molecular weight of 1433.32 g/mol. Its IUPAC name is 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene
PubChem CID158011390
Molecular FormulaC107H132
Molecular Weight1433.32 g/mol
Exact Mass1432.13
IUPAC Name1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene
SMILESCC(C)c1cccc(-c2ccccc2)c1C(C)C.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccccc1C(C)C.[2H]C(C)(C)c1ccccc1C(C)C.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])c2C(C)C)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccccc2C(C)C)c([2H])c1[2H]
InChIInChI=1S/C22H22.C18H22.2C15H16.C13H20.2C12H18/c1-16(2)22-20(18-10-5-4-6-11-18)13-8-14-21(22)19-12-7-9-17(3)15-19;1-13(2)16-11-8-12-17(18(16)14(3)4)15-9-6-5-7-10-15;2*1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-10(2)11-8-6-7-9-12(11)13(3,4)5;2*1-9(2)11-7-5-6-8-12(11)10(3)4/h4-16H,1-3H3;5-14H,1-4H3;2*3-12H,1-2H3;6-10H,1-5H3;2*5-10H,1-4H3/i4D,5D,6D,7D,9D,10D,11D,12D,15D;;3D,4D,5D,8D,9D;;;9D;
InChIKeyFEXSRNLVYNIKEB-QWFUTFMOSA-N
XLogP32.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001433.32
LogP ≤ 532.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene with MolForge

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Related Compounds

1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 164960133
1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)-2-phenyldibenzothiophene;1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene;1-tert-butyl-9-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzothiophene
CID 165109798
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CID 140946173
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole
CID 163689607
2-tert-butyl-1-(2-deuterio-4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-3-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)benzene;2-tert-butyl-1,3-dicyclohexylbenzene;1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)benzene;1-tert-butyl-2-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)benzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-tert-butyl-2-phenylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
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1-tert-butyl-2,3-di(propan-2-yl)benzene
CID 58827360
1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
CID 91401527
tert-butylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene;1-tert-butyl-2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)benzene;1-tert-butyl-2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)benzene;1-tert-butyl-2,3,4,5-tetradeuterio-6-phenylbenzene;1-tert-butyl-2,3,5,6-tetradeuterio-4-phenylbenzene;1,2,3,4,5-pentadeuterio-6-methylbenzene
CID 163693105
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
1-[2,6-bis(4-tert-butylphenyl)phenyl]-3-(3,5-ditert-butyl-2-methylphenyl)-2-methylbenzimidazol-1-ium;1-(3,5-ditert-butyl-2-methylphenyl)-3-(2,6-diphenylphenyl)-2-methylbenzimidazol-3-ium;1-(3,5-ditert-butyl-2-methylphenyl)-2-methyl-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzimidazol-3-ium
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CID 118944078

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene?
The IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene (CID 158011390) is 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene is CC(C)c1cccc(-c2ccccc2)c1C(C)C.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccccc1C(C)C.[2H]C(C)(C)c1ccccc1C(C)C.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])c2C(C)C)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccccc2C(C)C)c([2H])c1[2H].
What is the InChIKey of 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene?
The InChIKey is FEXSRNLVYNIKEB-QWFUTFMOSA-N. The full InChI is InChI=1S/C22H22.C18H22.2C15H16.C13H20.2C12H18/c1-16(2)22-20(18-10-5-4-6-11-18)13-8-14-21(22)19-12-7-9-17(3)15-19;1-13(2)16-11-8-12-17(18(16)14(3)4)15-9-6-5-7-10-15;2*1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-10(2)11-8-6-7-9-12(11)13(3,4)5;2*1-9(2)11-7-5-6-8-12(11)10(3)4/h4-16H,1-3H3;5-14H,1-4H3;2*3-12H,1-2H3;6-10H,1-5H3;2*5-10H,1-4H3/i4D,5D,6D,7D,9D,10D,11D,12D,15D;;3D,4D,5D,8D,9D;;;9D;.
What are the key properties of 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene?
1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene has a molecular weight of 1433.32 g/mol, XLogP of 32.98, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propan-2-ylbenzene;1-(2-deuteriopropan-2-yl)-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1,2,3,4,5-pentadeuterio-6-(2-propan-2-ylphenyl)benzene;1,2,3,4,5-pentadeuterio-6-[2-propan-2-yl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1-phenyl-2,3-di(propan-2-yl)benzene;1-phenyl-2-propan-2-ylbenzene is sourced from PubChem (CID 158011390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).