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

C106H158 — CID 161417547

IUPAC1-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
SMILESCc1c(C(C)(C)C)cccc1C(C)(C)C.Cc1c(C(C)C)cccc1C(C)C.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)C)cc(C(C)C)c1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C)c1C
InChIInChI=1S/2C15H24.2C13H20.2C11H16.C10H14.2C9H12/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7;1-11-12(14(2,3)4)9-8-10-13(11)15(5,6)7;1-9(2)12-6-11(5)7-13(8-12)10(3)4;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-7-5-8(2)10(4)9(3)6-7;1-7-4-8(2)6-9(3)5-7;1-7-5-4-6-8(2)9(7)3/h2*8-10H,1-7H3;2*6-10H,1-5H3;2*5-8H,1-4H3;5-6H,1-4H3;2*4-6H,1-3H3
InChIKeyVWGZVQHFIQJOHG-UHFFFAOYSA-N
MW1432.43 g/mol
LogP32.39
Rot. Bonds4

About 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

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 (PubChem CID 161417547) has the molecular formula C106H158 and a molecular weight of 1432.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID161417547
Molecular FormulaC106H158
Molecular Weight1432.43 g/mol
Exact Mass1431.24
IUPAC Name1-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
SMILESCc1c(C(C)(C)C)cccc1C(C)(C)C.Cc1c(C(C)C)cccc1C(C)C.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)C)cc(C(C)C)c1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C)c1C
InChIInChI=1S/2C15H24.2C13H20.2C11H16.C10H14.2C9H12/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7;1-11-12(14(2,3)4)9-8-10-13(11)15(5,6)7;1-9(2)12-6-11(5)7-13(8-12)10(3)4;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-7-5-8(2)10(4)9(3)6-7;1-7-4-8(2)6-9(3)5-7;1-7-5-4-6-8(2)9(7)3/h2*8-10H,1-7H3;2*6-10H,1-5H3;2*5-8H,1-4H3;5-6H,1-4H3;2*4-6H,1-3H3
InChIKeyVWGZVQHFIQJOHG-UHFFFAOYSA-N
XLogP32.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001432.43
LogP ≤ 532.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1,3-ditert-butyl-5-methylbenzene;1-fluoro-4-methylbenzene;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
CID 158267653
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-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene
CID 165007689
2-tert-butyl-1,4-dimethylbenzene;2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,4-xylene
CID 163530054
8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene
CID 159445566
1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene
CID 158783071
1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride
CID 177342998
bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene
CID 162078013
tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)
CID 162034169
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158801354
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene
CID 162074813

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(C)(C)C)cccc1C(C)(C)C.Cc1c(C(C)C)cccc1C(C)C.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C(C)C)cc(C(C)C)c1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C)c1C.
What is the InChIKey of 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?
The InChIKey is VWGZVQHFIQJOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24.2C13H20.2C11H16.C10H14.2C9H12/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7;1-11-12(14(2,3)4)9-8-10-13(11)15(5,6)7;1-9(2)12-6-11(5)7-13(8-12)10(3)4;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-7-5-8(2)10(4)9(3)6-7;1-7-4-8(2)6-9(3)5-7;1-7-5-4-6-8(2)9(7)3/h2*8-10H,1-7H3;2*6-10H,1-5H3;2*5-8H,1-4H3;5-6H,1-4H3;2*4-6H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1432.43 g/mol, XLogP of 32.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161417547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).