1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene

C107H144 — CID 158750712

IUPAC1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene
SMILESCC.CCC(C)c1ccc(C)cc1.CCCCc1ccc(C)cc1.CCCc1ccc(C)cc1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/2C11H10.4C11H16.3C10H14.C9H12.C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9(2)8-11-6-4-10(3)5-7-11;1-4-10(3)11-7-5-9(2)6-8-11;1-3-4-5-11-8-6-10(2)7-9-11;1-7-5-8(2)10(4)9(3)6-7;1-8(2)10-6-4-9(3)5-7-10;1-3-4-10-7-5-9(2)6-8-10;1-7-4-8(2)6-9(3)5-7;1-2/h2*2-8H,1H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;5-8,10H,4H2,1-3H3;6-9H,3-5H2,1-2H3;5-6H,1-4H3;4-8H,1-3H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3;1-2H3
InChIKeyINLFFOTZAHWAEH-UHFFFAOYSA-N
MW1430.33 g/mol
LogP32.25
Rot. Bonds10

About 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene

1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene (PubChem CID 158750712) has the molecular formula C107H144 and a molecular weight of 1430.33 g/mol. Its IUPAC name is 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene
PubChem CID158750712
Molecular FormulaC107H144
Molecular Weight1430.33 g/mol
Exact Mass1429.13
IUPAC Name1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene
SMILESCC.CCC(C)c1ccc(C)cc1.CCCCc1ccc(C)cc1.CCCc1ccc(C)cc1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/2C11H10.4C11H16.3C10H14.C9H12.C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9(2)8-11-6-4-10(3)5-7-11;1-4-10(3)11-7-5-9(2)6-8-11;1-3-4-5-11-8-6-10(2)7-9-11;1-7-5-8(2)10(4)9(3)6-7;1-8(2)10-6-4-9(3)5-7-10;1-3-4-10-7-5-9(2)6-8-10;1-7-4-8(2)6-9(3)5-7;1-2/h2*2-8H,1H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;5-8,10H,4H2,1-3H3;6-9H,3-5H2,1-2H3;5-6H,1-4H3;4-8H,1-3H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3;1-2H3
InChIKeyINLFFOTZAHWAEH-UHFFFAOYSA-N
XLogP32.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001430.33
LogP ≤ 532.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene with MolForge

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Related Compounds

1-butan-2-yl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,4-xylene
CID 157322735
1-tert-butyl-4-(2-methylpropyl)benzene;cumene;methane;1-methoxy-4-(2-methylpropyl)benzene;3-methylbutylbenzene;bis(1-methyl-4-(2-methylpropyl)benzene);4-methylpentylbenzene;2-methylpropylbenzene
CID 158507065
1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline
CID 160674877
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
1-methoxy-4-methylbenzene;2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-octylbenzene;2-methylpyrene
CID 158220963
3-(4-butylphenyl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),3,5,8(12),9-pentaen-7-one;3-(4-tert-butylphenyl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),3,5,8(12),9-pentaen-7-one;3-[4-(2-methylpropyl)phenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),3,5,8(12),9-pentaen-7-one;3-naphthalen-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),3,5,8(12),9-pentaen-7-one
CID 159321083
7-N,12-N-bis(4-butylphenyl)-7-N-(4-tert-butylphenyl)-12-N-(4-propan-2-ylphenyl)benzo[k]fluoranthene-7,12-diamine
CID 71263458
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
2-N,6-N-bis(4-butan-2-ylphenyl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,6-N-bis(4-butylphenyl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,6-N-bis[4-(2-methylpropyl)phenyl]-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetraphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine
CID 158037526
1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene
CID 159354320
1-N,4-N-bis(4-butylphenyl)-4-N-(4-tert-butylphenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 70822243
1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methoxy-4-[2-(4-methylphenyl)ethyl]benzene;heptakis(2-methylpropane-2-sulfinate);1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;1-methyl-4-[2-(4-propylphenyl)ethyl]benzene
CID 158740127

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene?
The IUPAC name of 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene (CID 158750712) is 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene.
What is the SMILES notation for 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene?
The canonical SMILES for 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene is CC.CCC(C)c1ccc(C)cc1.CCCCc1ccc(C)cc1.CCCc1ccc(C)cc1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.
What is the InChIKey of 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene?
The InChIKey is INLFFOTZAHWAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10.4C11H16.3C10H14.C9H12.C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9(2)8-11-6-4-10(3)5-7-11;1-4-10(3)11-7-5-9(2)6-8-11;1-3-4-5-11-8-6-10(2)7-9-11;1-7-5-8(2)10(4)9(3)6-7;1-8(2)10-6-4-9(3)5-7-10;1-3-4-10-7-5-9(2)6-8-10;1-7-4-8(2)6-9(3)5-7;1-2/h2*2-8H,1H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;5-8,10H,4H2,1-3H3;6-9H,3-5H2,1-2H3;5-6H,1-4H3;4-8H,1-3H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3;1-2H3.
What are the key properties of 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene?
1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene has a molecular weight of 1430.33 g/mol, XLogP of 32.25, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-methylbenzene;1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-methyl-4-(2-methylpropyl)benzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,2,3,5-tetramethylbenzene;1,3,5-trimethylbenzene is sourced from PubChem (CID 158750712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).