1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane

C23H36 — CID 142540260

IUPAC1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
SMILESC.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1C
InChIInChI=1S/2C11H16.CH4/c1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-7-5-6-9(3)10(11)4;/h2*5-8H,1-4H3;1H4
InChIKeyPZTXEIKWXGVEFP-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.49
Rot. Bonds2

About 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane

1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane (PubChem CID 142540260) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane.

Molecular Properties

Compound Name1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
PubChem CID142540260
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
SMILESC.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1C
InChIInChI=1S/2C11H16.CH4/c1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-7-5-6-9(3)10(11)4;/h2*5-8H,1-4H3;1H4
InChIKeyPZTXEIKWXGVEFP-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene
CID 162074813
1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane
CID 141181995
1,2-dimethyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158669113
(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
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
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
1-[chloro-(4-propan-2-ylphenyl)methyl]-2,3-dimethylbenzene
CID 63435435
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
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane?
The IUPAC name of 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane (CID 142540260) is 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane.
What is the SMILES notation for 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane?
The canonical SMILES for 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane is C.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1C.
What is the InChIKey of 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane?
The InChIKey is PZTXEIKWXGVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16.CH4/c1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)11-7-5-6-9(3)10(11)4;/h2*5-8H,1-4H3;1H4.
What are the key properties of 1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane?
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane has a molecular weight of 312.54 g/mol, XLogP of 7.49, 2 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;1,2-dimethyl-4-propan-2-ylbenzene;methane is sourced from PubChem (CID 142540260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).