1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene

C20H28 — CID 160945990

IUPAC1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene
SMILESCCc1cc(C)cc(C)c1.CCc1cc(C)ccc1C
InChIInChI=1S/2C10H14/c1-4-10-6-8(2)5-9(3)7-10;1-4-10-7-8(2)5-6-9(10)3/h2*5-7H,4H2,1-3H3
InChIKeySVCPEZOXCMIPOZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.73
Rot. Bonds2

About 1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene

1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene (PubChem CID 160945990) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene.

Molecular Properties

Compound Name1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene
PubChem CID160945990
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene
SMILESCCc1cc(C)cc(C)c1.CCc1cc(C)ccc1C
InChIInChI=1S/2C10H14/c1-4-10-6-8(2)5-9(3)7-10;1-4-10-7-8(2)5-6-9(10)3/h2*5-7H,4H2,1-3H3
InChIKeySVCPEZOXCMIPOZ-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1-methyl-4-(4-methylphenyl)benzene
CID 59090118
1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
bis(1-ethyl-3,5-dimethylbenzene);naphthalene
CID 165102980
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
CID 123136977
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-(3,5-dimethylphenyl)-1,3,5-triethylbenzene
CID 123795818
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene?
The IUPAC name of 1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene (CID 160945990) is 1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene.
What is the SMILES notation for 1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene?
The canonical SMILES for 1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene is CCc1cc(C)cc(C)c1.CCc1cc(C)ccc1C.
What is the InChIKey of 1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene?
The InChIKey is SVCPEZOXCMIPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14/c1-4-10-6-8(2)5-9(3)7-10;1-4-10-7-8(2)5-6-9(10)3/h2*5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene?
1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene has a molecular weight of 268.44 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene is sourced from PubChem (CID 160945990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).