1,2,3,4,5-pentamethylbenzene

C11H16 — CID 12784

IUPAC1,2,3,4,5-pentamethylbenzene
SMILESCc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
InChIKeyBEZDDPMMPIDMGJ-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.23
Rot. Bonds

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

1,2,3,4,5-pentamethylbenzene (PubChem CID 12784) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylbenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethylbenzene
PubChem CID12784
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1,2,3,4,5-pentamethylbenzene
SMILESCc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
InChIKeyBEZDDPMMPIDMGJ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethylbenzene?
The IUPAC name of 1,2,3,4,5-pentamethylbenzene (CID 12784) is 1,2,3,4,5-pentamethylbenzene.
What is the SMILES notation for 1,2,3,4,5-pentamethylbenzene?
The canonical SMILES for 1,2,3,4,5-pentamethylbenzene is Cc1cc(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethylbenzene?
The InChIKey is BEZDDPMMPIDMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3.
What are the key properties of 1,2,3,4,5-pentamethylbenzene?
1,2,3,4,5-pentamethylbenzene has a molecular weight of 148.25 g/mol, XLogP of 3.23, 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-pentamethylbenzene is sourced from PubChem (CID 12784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).