1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene

C113H190 — CID 160608725

IUPAC1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene
SMILESC.C.C.C.C.C.C.C.C.Cc1cc(C)c(C(C)C)cc1C.Cc1cc(C)c(C)c(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1C.Cc1ccc(C)c(C(C)C)c1C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C
InChIInChI=1S/5C12H18.4C11H16.9CH4/c1-8(2)12-7-10(4)9(3)6-11(12)5;1-8(2)12-7-9(3)6-10(4)11(12)5;1-8(2)12-7-6-9(3)10(4)11(12)5;2*1-8(2)12-10(4)7-6-9(3)11(12)5;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;;;;;;;;;/h5*6-8H,1-5H3;4*5-8H,1-4H3;9*1H4
InChIKeyRFFLVQHYEMMKFQ-UHFFFAOYSA-N
MW1548.76 g/mol
LogP38.11
Rot. Bonds9

About 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene

1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene (PubChem CID 160608725) has the molecular formula C113H190 and a molecular weight of 1548.76 g/mol. Its IUPAC name is 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene
PubChem CID160608725
Molecular FormulaC113H190
Molecular Weight1548.76 g/mol
Exact Mass1547.49
IUPAC Name1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene
SMILESC.C.C.C.C.C.C.C.C.Cc1cc(C)c(C(C)C)cc1C.Cc1cc(C)c(C)c(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1C.Cc1ccc(C)c(C(C)C)c1C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C
InChIInChI=1S/5C12H18.4C11H16.9CH4/c1-8(2)12-7-10(4)9(3)6-11(12)5;1-8(2)12-7-9(3)6-10(4)11(12)5;1-8(2)12-7-6-9(3)10(4)11(12)5;2*1-8(2)12-10(4)7-6-9(3)11(12)5;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;;;;;;;;;/h5*6-8H,1-5H3;4*5-8H,1-4H3;9*1H4
InChIKeyRFFLVQHYEMMKFQ-UHFFFAOYSA-N
XLogP38.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001548.76
LogP ≤ 538.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene with MolForge

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Related Compounds

1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;ethane;methane
CID 160607866
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene
CID 162074813
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;bis(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;1,2,4-trimethyl-5-propan-2-ylbenzene
CID 160990037
2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158801354
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
1-[1-(2,4-dimethylphenyl)ethyl]-2,3,4-trimethylbenzene
CID 173435517
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
CID 142540260
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene
CID 63442341
1,2,3,4-tetramethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene;tris(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;1,3-xylene;1,4-xylene
CID 158819449
bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene
CID 162078013
2,4-dimethyl-1-[1-(2-methylphenyl)ethyl]benzene
CID 54473191
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene?
The IUPAC name of 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene (CID 160608725) is 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene.
What is the SMILES notation for 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene?
The canonical SMILES for 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene is C.C.C.C.C.C.C.C.C.Cc1cc(C)c(C(C)C)cc1C.Cc1cc(C)c(C)c(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1C.Cc1ccc(C)c(C(C)C)c1C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C.
What is the InChIKey of 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene?
The InChIKey is RFFLVQHYEMMKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H18.4C11H16.9CH4/c1-8(2)12-7-10(4)9(3)6-11(12)5;1-8(2)12-7-9(3)6-10(4)11(12)5;1-8(2)12-7-6-9(3)10(4)11(12)5;2*1-8(2)12-10(4)7-6-9(3)11(12)5;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;;;;;;;;;/h5*6-8H,1-5H3;4*5-8H,1-4H3;9*1H4.
What are the key properties of 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene?
1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene has a molecular weight of 1548.76 g/mol, XLogP of 38.11, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;methane;1,2,3-trimethyl-4-propan-2-ylbenzene;bis(1,2,4-trimethyl-3-propan-2-ylbenzene);1,2,4-trimethyl-5-propan-2-ylbenzene;1,2,5-trimethyl-3-propan-2-ylbenzene is sourced from PubChem (CID 160608725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).