1,7-ditert-butylnaphthalene

C18H24 — CID 59350345

IUPAC1,7-ditert-butylnaphthalene
SMILESCC(C)(C)c1ccc2cccc(C(C)(C)C)c2c1
InChIInChI=1S/C18H24/c1-17(2,3)14-11-10-13-8-7-9-16(15(13)12-14)18(4,5)6/h7-12H,1-6H3
InChIKeyYFVSDBQBNLLZOL-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.43
Rot. Bonds

About 1,7-ditert-butylnaphthalene

1,7-ditert-butylnaphthalene (PubChem CID 59350345) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,7-ditert-butylnaphthalene.

Molecular Properties

Compound Name1,7-ditert-butylnaphthalene
PubChem CID59350345
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1,7-ditert-butylnaphthalene
SMILESCC(C)(C)c1ccc2cccc(C(C)(C)C)c2c1
InChIInChI=1S/C18H24/c1-17(2,3)14-11-10-13-8-7-9-16(15(13)12-14)18(4,5)6/h7-12H,1-6H3
InChIKeyYFVSDBQBNLLZOL-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 1,7-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

Related Compounds

2,4-ditert-butyl-1-methylbenzene;1,7-ditert-butylnaphthalene
CID 158611419
(8-tert-butylnaphthalen-2-yl)phosphane
CID 166789589
1-tert-butylphenanthrene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;4-tert-butylphenanthrene;2,2-dimethylpropane;phenanthrene
CID 157219441
1-tert-butyl-7-methoxynaphthalene
CID 608110
1,2-ditert-butylnaphthalene;1,4-ditert-butylnaphthalene;1,5-ditert-butylnaphthalene;1,6-ditert-butylnaphthalene;1,7-ditert-butylnaphthalene;1,8-ditert-butylnaphthalene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;methane
CID 157431044
1,2-ditert-butylbenzene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,7-ditert-butylnaphthalene
CID 157478652
7-tert-butylnaphthalene-1-carboxylic acid
CID 130352675
tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane
CID 158112502
3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol
CID 167069005
1-tert-butyl-6-methylnaphthalene
CID 3019596
3-[tri(phenanthren-3-yl)methyl]phenanthrene
CID 11136326
5-tert-butyl-2H-isoquinolin-3-one
CID 139382730

Frequently Asked Questions

What is the IUPAC name of 1,7-ditert-butylnaphthalene?
The IUPAC name of 1,7-ditert-butylnaphthalene (CID 59350345) is 1,7-ditert-butylnaphthalene.
What is the SMILES notation for 1,7-ditert-butylnaphthalene?
The canonical SMILES for 1,7-ditert-butylnaphthalene is CC(C)(C)c1ccc2cccc(C(C)(C)C)c2c1.
What is the InChIKey of 1,7-ditert-butylnaphthalene?
The InChIKey is YFVSDBQBNLLZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-17(2,3)14-11-10-13-8-7-9-16(15(13)12-14)18(4,5)6/h7-12H,1-6H3.
What are the key properties of 1,7-ditert-butylnaphthalene?
1,7-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 1,7-ditert-butylnaphthalene is sourced from PubChem (CID 59350345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).