1,3,5,8-tetratert-butylnaphthalene

C26H40 — CID 71356905

IUPAC1,3,5,8-tetratert-butylnaphthalene
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(C(C)(C)C)ccc(C(C)(C)C)c2c1
InChIInChI=1S/C26H40/c1-23(2,3)17-15-18-19(24(4,5)6)13-14-20(25(7,8)9)22(18)21(16-17)26(10,11)12/h13-16H,1-12H3
InChIKeyDOSBMENIFHJPNU-UHFFFAOYSA-N
MW352.61 g/mol
LogP8.03
Rot. Bonds

About 1,3,5,8-tetratert-butylnaphthalene

1,3,5,8-tetratert-butylnaphthalene (PubChem CID 71356905) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is 1,3,5,8-tetratert-butylnaphthalene.

Molecular Properties

Compound Name1,3,5,8-tetratert-butylnaphthalene
PubChem CID71356905
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Name1,3,5,8-tetratert-butylnaphthalene
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(C(C)(C)C)ccc(C(C)(C)C)c2c1
InChIInChI=1S/C26H40/c1-23(2,3)17-15-18-19(24(4,5)6)13-14-20(25(7,8)9)22(18)21(16-17)26(10,11)12/h13-16H,1-12H3
InChIKeyDOSBMENIFHJPNU-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,5,8-tetratert-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 1,3,5,8-tetratert-butylnaphthalene?
The IUPAC name of 1,3,5,8-tetratert-butylnaphthalene (CID 71356905) is 1,3,5,8-tetratert-butylnaphthalene.
What is the SMILES notation for 1,3,5,8-tetratert-butylnaphthalene?
The canonical SMILES for 1,3,5,8-tetratert-butylnaphthalene is CC(C)(C)c1cc(C(C)(C)C)c2c(C(C)(C)C)ccc(C(C)(C)C)c2c1.
What is the InChIKey of 1,3,5,8-tetratert-butylnaphthalene?
The InChIKey is DOSBMENIFHJPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40/c1-23(2,3)17-15-18-19(24(4,5)6)13-14-20(25(7,8)9)22(18)21(16-17)26(10,11)12/h13-16H,1-12H3.
What are the key properties of 1,3,5,8-tetratert-butylnaphthalene?
1,3,5,8-tetratert-butylnaphthalene has a molecular weight of 352.61 g/mol, XLogP of 8.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,8-tetratert-butylnaphthalene is sourced from PubChem (CID 71356905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).