6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid

C26H28O2 — CID 11740036

IUPAC6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid
SMILESCc1cc2c(cc1-c1ccc3cc(C(=O)O)ccc3c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H28O2/c1-16-12-22-23(26(4,5)11-10-25(22,2)3)15-21(16)19-8-6-18-14-20(24(27)28)9-7-17(18)13-19/h6-9,12-15H,10-11H2,1-5H3,(H,27,28)
InChIKeyUJHRUCLKPQQBOQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP6.86
Rot. Bonds2

About 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid

6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid (PubChem CID 11740036) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid
PubChem CID11740036
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid
SMILESCc1cc2c(cc1-c1ccc3cc(C(=O)O)ccc3c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H28O2/c1-16-12-22-23(26(4,5)11-10-25(22,2)3)15-21(16)19-8-6-18-14-20(24(27)28)9-7-17(18)13-19/h6-9,12-15H,10-11H2,1-5H3,(H,27,28)
InChIKeyUJHRUCLKPQQBOQ-UHFFFAOYSA-N
XLogP6.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid (CID 11740036) is 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid is Cc1cc2c(cc1-c1ccc3cc(C(=O)O)ccc3c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid?
The InChIKey is UJHRUCLKPQQBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2/c1-16-12-22-23(26(4,5)11-10-25(22,2)3)15-21(16)19-8-6-18-14-20(24(27)28)9-7-17(18)13-19/h6-9,12-15H,10-11H2,1-5H3,(H,27,28).
What are the key properties of 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid?
6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid has a molecular weight of 372.51 g/mol, XLogP of 6.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 11740036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).