2,3-ditert-butylnaphthalene

C18H24 — CID 14173307

IUPAC2,3-ditert-butylnaphthalene
SMILESCC(C)(C)c1cc2ccccc2cc1C(C)(C)C
InChIInChI=1S/C18H24/c1-17(2,3)15-11-13-9-7-8-10-14(13)12-16(15)18(4,5)6/h7-12H,1-6H3
InChIKeyUECRTSUXVXLOOZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.43
Rot. Bonds

About 2,3-ditert-butylnaphthalene

2,3-ditert-butylnaphthalene (PubChem CID 14173307) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,3-ditert-butylnaphthalene.

Molecular Properties

Compound Name2,3-ditert-butylnaphthalene
PubChem CID14173307
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2,3-ditert-butylnaphthalene
SMILESCC(C)(C)c1cc2ccccc2cc1C(C)(C)C
InChIInChI=1S/C18H24/c1-17(2,3)15-11-13-9-7-8-10-14(13)12-16(15)18(4,5)6/h7-12H,1-6H3
InChIKeyUECRTSUXVXLOOZ-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-ditert-butylnaphthalene 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 2,3-ditert-butylnaphthalene?
The IUPAC name of 2,3-ditert-butylnaphthalene (CID 14173307) is 2,3-ditert-butylnaphthalene.
What is the SMILES notation for 2,3-ditert-butylnaphthalene?
The canonical SMILES for 2,3-ditert-butylnaphthalene is CC(C)(C)c1cc2ccccc2cc1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butylnaphthalene?
The InChIKey is UECRTSUXVXLOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-17(2,3)15-11-13-9-7-8-10-14(13)12-16(15)18(4,5)6/h7-12H,1-6H3.
What are the key properties of 2,3-ditert-butylnaphthalene?
2,3-ditert-butylnaphthalene has a molecular weight of 240.39 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butylnaphthalene is sourced from PubChem (CID 14173307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).