2-tert-butyl-1,6-dihydropyrene

C20H20 — CID 164779934

IUPAC2-tert-butyl-1,6-dihydropyrene
SMILESCC(C)(C)C1=Cc2ccc3c4c(ccc(c24)C1)C=CC3
InChIInChI=1S/C20H20/c1-20(2,3)17-11-15-9-7-13-5-4-6-14-8-10-16(12-17)19(15)18(13)14/h4-5,7-10,12H,6,11H2,1-3H3
InChIKeyTWLKFDWPJWJCRI-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.39
Rot. Bonds

About 2-tert-butyl-1,6-dihydropyrene

2-tert-butyl-1,6-dihydropyrene (PubChem CID 164779934) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-tert-butyl-1,6-dihydropyrene.

Molecular Properties

Compound Name2-tert-butyl-1,6-dihydropyrene
PubChem CID164779934
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name2-tert-butyl-1,6-dihydropyrene
SMILESCC(C)(C)C1=Cc2ccc3c4c(ccc(c24)C1)C=CC3
InChIInChI=1S/C20H20/c1-20(2,3)17-11-15-9-7-13-5-4-6-14-8-10-16(12-17)19(15)18(13)14/h4-5,7-10,12H,6,11H2,1-3H3
InChIKeyTWLKFDWPJWJCRI-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-tert-butyl-1,6-dihydropyrene 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 2-tert-butyl-1,6-dihydropyrene?
The IUPAC name of 2-tert-butyl-1,6-dihydropyrene (CID 164779934) is 2-tert-butyl-1,6-dihydropyrene.
What is the SMILES notation for 2-tert-butyl-1,6-dihydropyrene?
The canonical SMILES for 2-tert-butyl-1,6-dihydropyrene is CC(C)(C)C1=Cc2ccc3c4c(ccc(c24)C1)C=CC3.
What is the InChIKey of 2-tert-butyl-1,6-dihydropyrene?
The InChIKey is TWLKFDWPJWJCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-20(2,3)17-11-15-9-7-13-5-4-6-14-8-10-16(12-17)19(15)18(13)14/h4-5,7-10,12H,6,11H2,1-3H3.
What are the key properties of 2-tert-butyl-1,6-dihydropyrene?
2-tert-butyl-1,6-dihydropyrene has a molecular weight of 260.38 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,6-dihydropyrene is sourced from PubChem (CID 164779934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).