1,2,3,4,5,6-hexamethylbenzene;methane

C13H22 — CID 159570864

IUPAC1,2,3,4,5,6-hexamethylbenzene;methane
SMILESC.Cc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C12H18.CH4/c1-7-8(2)10(4)12(6)11(5)9(7)3;/h1-6H3;1H4
InChIKeyMHUIWSLXTIJOBF-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.17
Rot. Bonds

About 1,2,3,4,5,6-hexamethylbenzene;methane

1,2,3,4,5,6-hexamethylbenzene;methane (PubChem CID 159570864) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylbenzene;methane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylbenzene;methane
PubChem CID159570864
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,2,3,4,5,6-hexamethylbenzene;methane
SMILESC.Cc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C12H18.CH4/c1-7-8(2)10(4)12(6)11(5)9(7)3;/h1-6H3;1H4
InChIKeyMHUIWSLXTIJOBF-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527
bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
CID 163470623
boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
CID 134902011
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887
chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)
CID 11072056
CID 18722884
CID 18722884
carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese
CID 11747742
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)
CID 16687457

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;methane?
The IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;methane (CID 159570864) is 1,2,3,4,5,6-hexamethylbenzene;methane.
What is the SMILES notation for 1,2,3,4,5,6-hexamethylbenzene;methane?
The canonical SMILES for 1,2,3,4,5,6-hexamethylbenzene;methane is C.Cc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5,6-hexamethylbenzene;methane?
The InChIKey is MHUIWSLXTIJOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.CH4/c1-7-8(2)10(4)12(6)11(5)9(7)3;/h1-6H3;1H4.
What are the key properties of 1,2,3,4,5,6-hexamethylbenzene;methane?
1,2,3,4,5,6-hexamethylbenzene;methane has a molecular weight of 178.32 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylbenzene;methane is sourced from PubChem (CID 159570864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).