1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene

C28H38 — CID 159734300

IUPAC1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene
SMILESCc1ccc(C(C)C)cc1.Cc1ccccc1C.Cc1ccccc1C(C)C
InChIInChI=1S/2C10H14.C8H10/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7-5-3-4-6-8(7)2/h2*4-8H,1-3H3;3-6H,1-2H3
InChIKeyNBQHYSBYALCICX-UHFFFAOYSA-N
MW374.61 g/mol
LogP8.54
Rot. Bonds2

About 1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene

1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene (PubChem CID 159734300) has the molecular formula C28H38 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene
PubChem CID159734300
Molecular FormulaC28H38
Molecular Weight374.61 g/mol
Exact Mass374.30
IUPAC Name1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene
SMILESCc1ccc(C(C)C)cc1.Cc1ccccc1C.Cc1ccccc1C(C)C
InChIInChI=1S/2C10H14.C8H10/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7-5-3-4-6-8(7)2/h2*4-8H,1-3H3;3-6H,1-2H3
InChIKeyNBQHYSBYALCICX-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(1-methyl-2-propan-2-ylbenzene);toluene
CID 162261210
1,2-dimethyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158669113
4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene
CID 167660923
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene
CID 157266491
2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158801354
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
aniline;1-methyl-4-propan-2-ylbenzene
CID 19435769

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene?
The IUPAC name of 1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene (CID 159734300) is 1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene.
What is the SMILES notation for 1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene?
The canonical SMILES for 1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene is Cc1ccc(C(C)C)cc1.Cc1ccccc1C.Cc1ccccc1C(C)C.
What is the InChIKey of 1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene?
The InChIKey is NBQHYSBYALCICX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14.C8H10/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7-5-3-4-6-8(7)2/h2*4-8H,1-3H3;3-6H,1-2H3.
What are the key properties of 1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene?
1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene has a molecular weight of 374.61 g/mol, XLogP of 8.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene is sourced from PubChem (CID 159734300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).