benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane

C22H36 — CID 91269426

IUPACbenzene;ethane;1,2,3,4,5-pentamethylbenzene;propane
SMILESCC.CCC.Cc1cc(C)c(C)c(C)c1C.c1ccccc1
InChIInChI=1S/C11H16.C6H6.C3H8.C2H6/c1-7-6-8(2)10(4)11(5)9(7)3;1-2-4-6-5-3-1;1-3-2;1-2/h6H,1-5H3;1-6H;3H2,1-2H3;1-2H3
InChIKeyFRJYXAOLFKYLNY-UHFFFAOYSA-N
MW300.53 g/mol
LogP7.36
Rot. Bonds

About benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane

benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane (PubChem CID 91269426) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane.

Molecular Properties

Compound Namebenzene;ethane;1,2,3,4,5-pentamethylbenzene;propane
PubChem CID91269426
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Namebenzene;ethane;1,2,3,4,5-pentamethylbenzene;propane
SMILESCC.CCC.Cc1cc(C)c(C)c(C)c1C.c1ccccc1
InChIInChI=1S/C11H16.C6H6.C3H8.C2H6/c1-7-6-8(2)10(4)11(5)9(7)3;1-2-4-6-5-3-1;1-3-2;1-2/h6H,1-5H3;1-6H;3H2,1-2H3;1-2H3
InChIKeyFRJYXAOLFKYLNY-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane?
The IUPAC name of benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane (CID 91269426) is benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane.
What is the SMILES notation for benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane?
The canonical SMILES for benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane is CC.CCC.Cc1cc(C)c(C)c(C)c1C.c1ccccc1.
What is the InChIKey of benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane?
The InChIKey is FRJYXAOLFKYLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C6H6.C3H8.C2H6/c1-7-6-8(2)10(4)11(5)9(7)3;1-2-4-6-5-3-1;1-3-2;1-2/h6H,1-5H3;1-6H;3H2,1-2H3;1-2H3.
What are the key properties of benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane?
benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane has a molecular weight of 300.53 g/mol, XLogP of 7.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane is sourced from PubChem (CID 91269426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).