1,2-dimethyl-4-propan-2-ylbenzene;ethane

C13H22 — CID 142019921

IUPAC1,2-dimethyl-4-propan-2-ylbenzene;ethane
SMILESCC.Cc1ccc(C(C)C)cc1C
InChIInChI=1S/C11H16.C2H6/c1-8(2)11-6-5-9(3)10(4)7-11;1-2/h5-8H,1-4H3;1-2H3
InChIKeyWCIMTNIMAHNEOZ-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.45
Rot. Bonds1

About 1,2-dimethyl-4-propan-2-ylbenzene;ethane

1,2-dimethyl-4-propan-2-ylbenzene;ethane (PubChem CID 142019921) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,2-dimethyl-4-propan-2-ylbenzene;ethane.

Molecular Properties

Compound Name1,2-dimethyl-4-propan-2-ylbenzene;ethane
PubChem CID142019921
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,2-dimethyl-4-propan-2-ylbenzene;ethane
SMILESCC.Cc1ccc(C(C)C)cc1C
InChIInChI=1S/C11H16.C2H6/c1-8(2)11-6-5-9(3)10(4)7-11;1-2/h5-8H,1-4H3;1-2H3
InChIKeyWCIMTNIMAHNEOZ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
CID 142540260
4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene
CID 63436116
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
CID 163232916
CID 163232916
1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 167517965
butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene
CID 153384961
ethane;2-methyl-5-propan-2-ylbenzonitrile
CID 177048895
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
CID 63427495
1,2-dimethyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158669113

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propan-2-ylbenzene;ethane?
The IUPAC name of 1,2-dimethyl-4-propan-2-ylbenzene;ethane (CID 142019921) is 1,2-dimethyl-4-propan-2-ylbenzene;ethane.
What is the SMILES notation for 1,2-dimethyl-4-propan-2-ylbenzene;ethane?
The canonical SMILES for 1,2-dimethyl-4-propan-2-ylbenzene;ethane is CC.Cc1ccc(C(C)C)cc1C.
What is the InChIKey of 1,2-dimethyl-4-propan-2-ylbenzene;ethane?
The InChIKey is WCIMTNIMAHNEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C2H6/c1-8(2)11-6-5-9(3)10(4)7-11;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of 1,2-dimethyl-4-propan-2-ylbenzene;ethane?
1,2-dimethyl-4-propan-2-ylbenzene;ethane has a molecular weight of 178.32 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propan-2-ylbenzene;ethane is sourced from PubChem (CID 142019921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).