1,2,3,4,5-pentaethylbenzene

C16H26 — CID 11794

IUPAC1,2,3,4,5-pentaethylbenzene
SMILESCCc1cc(CC)c(CC)c(CC)c1CC
InChIInChI=1S/C16H26/c1-6-12-11-13(7-2)15(9-4)16(10-5)14(12)8-3/h11H,6-10H2,1-5H3
InChIKeyJREJWHNDQOGSQT-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.50
Rot. Bonds5

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

1,2,3,4,5-pentaethylbenzene (PubChem CID 11794) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1,2,3,4,5-pentaethylbenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentaethylbenzene
PubChem CID11794
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1,2,3,4,5-pentaethylbenzene
SMILESCCc1cc(CC)c(CC)c(CC)c1CC
InChIInChI=1S/C16H26/c1-6-12-11-13(7-2)15(9-4)16(10-5)14(12)8-3/h11H,6-10H2,1-5H3
InChIKeyJREJWHNDQOGSQT-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5-pentaethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-Xylene
CID 7237
M-Xylene
CID 7929
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Pentylbenzene
CID 10864
Mesitylene
CID 7947
1,2,3-Trimethylbenzene
CID 10686
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
1,3-Diethylbenzene
CID 8864

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentaethylbenzene?
The IUPAC name of 1,2,3,4,5-pentaethylbenzene (CID 11794) is 1,2,3,4,5-pentaethylbenzene.
What is the SMILES notation for 1,2,3,4,5-pentaethylbenzene?
The canonical SMILES for 1,2,3,4,5-pentaethylbenzene is CCc1cc(CC)c(CC)c(CC)c1CC.
What is the InChIKey of 1,2,3,4,5-pentaethylbenzene?
The InChIKey is JREJWHNDQOGSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-6-12-11-13(7-2)15(9-4)16(10-5)14(12)8-3/h11H,6-10H2,1-5H3.
What are the key properties of 1,2,3,4,5-pentaethylbenzene?
1,2,3,4,5-pentaethylbenzene has a molecular weight of 218.38 g/mol, XLogP of 4.50, 5 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-pentaethylbenzene is sourced from PubChem (CID 11794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).