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

C147H204 — CID 157431044

About 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

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 (PubChem CID 157431044) has the molecular formula C147H204 and a molecular weight of 1971.25 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157431044
• Molecular Formula: C147H204
• Molecular Weight: 1971.25 g/mol
• Exact Mass: 1969.60
• IUPAC Name: 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
• SMILES: C.C.C.CC(C)(C)c1ccc(C(C)(C)C)c2ccccc12.CC(C)(C)c1ccc2c(C(C)(C)C)cccc2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)ccc2c1.CC(C)(C)c1ccc2ccc(C(C)(C)C)cc2c1.CC(C)(C)c1ccc2cccc(C(C)(C)C)c2c1.CC(C)(C)c1ccc2ccccc2c1C(C)(C)C.CC(C)(C)c1cccc2c(C(C)(C)C)cccc12.CC(C)(C)c1cccc2cccc(C(C)(C)C)c12
• InChI: InChI=1S/8C18H24.3CH4/c1-17(2,3)15-11-7-10-14-13(15)9-8-12-16(14)18(4,5)6;1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15;1-17(2,3)15-9-7-13-8-10-16(18(4,5)6)12-14(13)11-15;1-17(2,3)14-11-7-9-13-10-8-12-15(16(13)14)18(4,5)6;1-17(2,3)14-10-11-15-13(12-14)8-7-9-16(15)18(4,5)6;1-17(2,3)14-11-10-13-8-7-9-16(15(13)12-14)18(4,5)6;1-17(2,3)15-11-12-16(18(4,5)6)14-10-8-7-9-13(14)15;1-17(2,3)15-12-11-13-9-7-8-10-14(13)16(15)18(4,5)6;;;/h8*7-12H,1-6H3;3*1H4
• InChIKey: BQNQIVQZAKOAJU-UHFFFAOYSA-N
• XLogP: 45.39
• TPSA: 0.00 Ų
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1971.25
LogP ≤ 5	45.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.C.CC(C)(C)c1ccc(C(C)(C)C)c2ccccc12.CC(C)(C)c1ccc2c(C(C)(C)C)cccc2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)ccc2c1.CC(C)(C)c1ccc2ccc(C(C)(C)C)cc2c1.CC(C)(C)c1ccc2cccc(C(C)(C)C)c2c1.CC(C)(C)c1ccc2ccccc2c1C(C)(C)C.CC(C)(C)c1cccc2c(C(C)(C)C)cccc12.CC(C)(C)c1cccc2cccc(C(C)(C)C)c12.

What is the InChIKey of 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?

The InChIKey is BQNQIVQZAKOAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/8C18H24.3CH4/c1-17(2,3)15-11-7-10-14-13(15)9-8-12-16(14)18(4,5)6;1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15;1-17(2,3)15-9-7-13-8-10-16(18(4,5)6)12-14(13)11-15;1-17(2,3)14-11-7-9-13-10-8-12-15(16(13)14)18(4,5)6;1-17(2,3)14-10-11-15-13(12-14)8-7-9-16(15)18(4,5)6;1-17(2,3)14-11-10-13-8-7-9-16(15(13)12-14)18(4,5)6;1-17(2,3)15-11-12-16(18(4,5)6)14-10-8-7-9-13(14)15;1-17(2,3)15-12-11-13-9-7-8-10-14(13)16(15)18(4,5)6;;;/h8*7-12H,1-6H3;3*1H4.

What are the key properties of 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?

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 has a molecular weight of 1971.25 g/mol, XLogP of 45.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157431044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).