5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid

C26H26O3 — CID 10023043

IUPAC5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)c3cccc4cc(C(=O)O)ccc34)ccc21
InChIInChI=1S/C26H26O3/c1-25(2)12-13-26(3,4)22-15-17(9-11-21(22)25)23(27)20-7-5-6-16-14-18(24(28)29)8-10-19(16)20/h5-11,14-15H,12-13H2,1-4H3,(H,28,29)
InChIKeyPYUBRVKJYNKFPY-UHFFFAOYSA-N
MW386.49 g/mol
LogP6.12
Rot. Bonds3

About 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid

5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid (PubChem CID 10023043) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
PubChem CID10023043
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)c3cccc4cc(C(=O)O)ccc34)ccc21
InChIInChI=1S/C26H26O3/c1-25(2)12-13-26(3,4)22-15-17(9-11-21(22)25)23(27)20-7-5-6-16-14-18(24(28)29)8-10-19(16)20/h5-11,14-15H,12-13H2,1-4H3,(H,28,29)
InChIKeyPYUBRVKJYNKFPY-UHFFFAOYSA-N
XLogP6.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid?
The IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid (CID 10023043) is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid is CC1(C)CCC(C)(C)c2cc(C(=O)c3cccc4cc(C(=O)O)ccc34)ccc21.
What is the InChIKey of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid?
The InChIKey is PYUBRVKJYNKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O3/c1-25(2)12-13-26(3,4)22-15-17(9-11-21(22)25)23(27)20-7-5-6-16-14-18(24(28)29)8-10-19(16)20/h5-11,14-15H,12-13H2,1-4H3,(H,28,29).
What are the key properties of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid?
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid has a molecular weight of 386.49 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 10023043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).