2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid

C28H30O4 — CID 10812545

About 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid

2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid (PubChem CID 10812545) has the molecular formula C28H30O4 and a molecular weight of 430.54 g/mol. Its IUPAC name is 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid.

Molecular Properties

• Compound Name: 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid
• PubChem CID: 10812545
• Molecular Formula: C28H30O4
• Molecular Weight: 430.54 g/mol
• Exact Mass: 430.21
• IUPAC Name: 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid
• SMILES: COC(=O)c1ccc2cc(C(C(=O)O)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1
• InChI: InChI=1S/C28H30O4/c1-27(2)12-13-28(3,4)23-16-20(10-11-22(23)27)24(25(29)30)19-8-6-18-15-21(26(31)32-5)9-7-17(18)14-19/h6-11,14-16,24H,12-13H2,1-5H3,(H,29,30)
• InChIKey: SHLAAFJXTLRUSY-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 63.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.54
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid?

The IUPAC name of 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid (CID 10812545) is 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid.

What is the SMILES notation for 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid?

The canonical SMILES for 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid is COC(=O)c1ccc2cc(C(C(=O)O)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1.

What is the InChIKey of 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid?

The InChIKey is SHLAAFJXTLRUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O4/c1-27(2)12-13-28(3,4)23-16-20(10-11-22(23)27)24(25(29)30)19-8-6-18-15-21(26(31)32-5)9-7-17(18)14-19/h6-11,14-16,24H,12-13H2,1-5H3,(H,29,30).

What are the key properties of 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid?

2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid has a molecular weight of 430.54 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 10812545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).