1,2,3,4,5,6-hexaethylbenzene

C18H30 — CID 11791

IUPAC1,2,3,4,5,6-hexaethylbenzene
SMILESCCc1c(CC)c(CC)c(CC)c(CC)c1CC
InChIInChI=1S/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3
InChIKeyLXSMILGNHYBUCG-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.06
Rot. Bonds6

About 1,2,3,4,5,6-hexaethylbenzene

1,2,3,4,5,6-hexaethylbenzene (PubChem CID 11791) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexaethylbenzene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexaethylbenzene
PubChem CID11791
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,2,3,4,5,6-hexaethylbenzene
SMILESCCc1c(CC)c(CC)c(CC)c(CC)c1CC
InChIInChI=1S/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3
InChIKeyLXSMILGNHYBUCG-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5,6-hexaethylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexaethylbenzene?
The IUPAC name of 1,2,3,4,5,6-hexaethylbenzene (CID 11791) is 1,2,3,4,5,6-hexaethylbenzene.
What is the SMILES notation for 1,2,3,4,5,6-hexaethylbenzene?
The canonical SMILES for 1,2,3,4,5,6-hexaethylbenzene is CCc1c(CC)c(CC)c(CC)c(CC)c1CC.
What is the InChIKey of 1,2,3,4,5,6-hexaethylbenzene?
The InChIKey is LXSMILGNHYBUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexaethylbenzene?
1,2,3,4,5,6-hexaethylbenzene has a molecular weight of 246.44 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexaethylbenzene is sourced from PubChem (CID 11791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).