1-ethyl-2,3,4,5,6-pentamethylbenzene

C13H20 — CID 595338

IUPAC1-ethyl-2,3,4,5,6-pentamethylbenzene
SMILESCCc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C13H20/c1-7-13-11(5)9(3)8(2)10(4)12(13)6/h7H2,1-6H3
InChIKeyPIOVGSBSKHQCIJ-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.79
Rot. Bonds1

About 1-ethyl-2,3,4,5,6-pentamethylbenzene

1-ethyl-2,3,4,5,6-pentamethylbenzene (PubChem CID 595338) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-ethyl-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-ethyl-2,3,4,5,6-pentamethylbenzene
PubChem CID595338
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-ethyl-2,3,4,5,6-pentamethylbenzene
SMILESCCc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C13H20/c1-7-13-11(5)9(3)8(2)10(4)12(13)6/h7H2,1-6H3
InChIKeyPIOVGSBSKHQCIJ-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-ethyl-2,3,4,5,6-pentamethylbenzene (CID 595338) is 1-ethyl-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-ethyl-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-ethyl-2,3,4,5,6-pentamethylbenzene is CCc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1-ethyl-2,3,4,5,6-pentamethylbenzene?
The InChIKey is PIOVGSBSKHQCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-7-13-11(5)9(3)8(2)10(4)12(13)6/h7H2,1-6H3.
What are the key properties of 1-ethyl-2,3,4,5,6-pentamethylbenzene?
1-ethyl-2,3,4,5,6-pentamethylbenzene has a molecular weight of 176.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 595338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).