5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid

C34H49NO2 — CID 123848646

IUPAC5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(C4CCCCC(CCCCC(=O)O)CCCC4)n3)ccc21
InChIInChI=1S/C34H49NO2/c1-33(2)22-23-34(3,4)29-24-27(20-21-28(29)33)31-18-11-17-30(35-31)26-15-8-5-12-25(13-6-9-16-26)14-7-10-19-32(36)37/h11,17-18,20-21,24-26H,5-10,12-16,19,22-23H2,1-4H3,(H,36,37)
InChIKeyFYFBZWGASMVGDI-UHFFFAOYSA-N
MW503.77 g/mol
LogP9.58
Rot. Bonds7

About 5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid

5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid (PubChem CID 123848646) has the molecular formula C34H49NO2 and a molecular weight of 503.77 g/mol. Its IUPAC name is 5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid.

Molecular Properties

Compound Name5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid
PubChem CID123848646
Molecular FormulaC34H49NO2
Molecular Weight503.77 g/mol
Exact Mass503.38
IUPAC Name5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(C4CCCCC(CCCCC(=O)O)CCCC4)n3)ccc21
InChIInChI=1S/C34H49NO2/c1-33(2)22-23-34(3,4)29-24-27(20-21-28(29)33)31-18-11-17-30(35-31)26-15-8-5-12-25(13-6-9-16-26)14-7-10-19-32(36)37/h11,17-18,20-21,24-26H,5-10,12-16,19,22-23H2,1-4H3,(H,36,37)
InChIKeyFYFBZWGASMVGDI-UHFFFAOYSA-N
XLogP9.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.77
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid?
The IUPAC name of 5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid (CID 123848646) is 5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid.
What is the SMILES notation for 5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid?
The canonical SMILES for 5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid is CC1(C)CCC(C)(C)c2cc(-c3cccc(C4CCCCC(CCCCC(=O)O)CCCC4)n3)ccc21.
What is the InChIKey of 5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid?
The InChIKey is FYFBZWGASMVGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49NO2/c1-33(2)22-23-34(3,4)29-24-27(20-21-28(29)33)31-18-11-17-30(35-31)26-15-8-5-12-25(13-6-9-16-26)14-7-10-19-32(36)37/h11,17-18,20-21,24-26H,5-10,12-16,19,22-23H2,1-4H3,(H,36,37).
What are the key properties of 5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid?
5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid has a molecular weight of 503.77 g/mol, XLogP of 9.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]cyclodecyl]pentanoic acid is sourced from PubChem (CID 123848646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).