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

C22H48 — CID 144963527

IUPACethane;1,2,3,4,5,6-hexamethylbenzene
SMILESCC.CC.CC.CC.CC.Cc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C12H18.5C2H6/c1-7-8(2)10(4)12(6)11(5)9(7)3;5*1-2/h1-6H3;5*1-2H3
InChIKeyWVVPUDWERYQEOY-UHFFFAOYSA-N
MW312.63 g/mol
LogP8.67
Rot. Bonds

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

ethane;1,2,3,4,5,6-hexamethylbenzene (PubChem CID 144963527) has the molecular formula C22H48 and a molecular weight of 312.63 g/mol. Its IUPAC name is ethane;1,2,3,4,5,6-hexamethylbenzene.

Molecular Properties

Compound Nameethane;1,2,3,4,5,6-hexamethylbenzene
PubChem CID144963527
Molecular FormulaC22H48
Molecular Weight312.63 g/mol
Exact Mass312.38
IUPAC Nameethane;1,2,3,4,5,6-hexamethylbenzene
SMILESCC.CC.CC.CC.CC.Cc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C12H18.5C2H6/c1-7-8(2)10(4)12(6)11(5)9(7)3;5*1-2/h1-6H3;5*1-2H3
InChIKeyWVVPUDWERYQEOY-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.63
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
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
ethane;1,2,3,4,5-pentamethylpyrrole
CID 91518020
methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
CID 163470623
CID 18722884
CID 18722884
carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese
CID 11747742
ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+)
CID 156728674

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4,5,6-hexamethylbenzene?
The IUPAC name of ethane;1,2,3,4,5,6-hexamethylbenzene (CID 144963527) is ethane;1,2,3,4,5,6-hexamethylbenzene.
What is the SMILES notation for ethane;1,2,3,4,5,6-hexamethylbenzene?
The canonical SMILES for ethane;1,2,3,4,5,6-hexamethylbenzene is CC.CC.CC.CC.CC.Cc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of ethane;1,2,3,4,5,6-hexamethylbenzene?
The InChIKey is WVVPUDWERYQEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.5C2H6/c1-7-8(2)10(4)12(6)11(5)9(7)3;5*1-2/h1-6H3;5*1-2H3.
What are the key properties of ethane;1,2,3,4,5,6-hexamethylbenzene?
ethane;1,2,3,4,5,6-hexamethylbenzene has a molecular weight of 312.63 g/mol, XLogP of 8.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4,5,6-hexamethylbenzene is sourced from PubChem (CID 144963527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).