1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid

C22H24O4 — CID 170443114

IUPAC1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OC2(c3ccc4ccccc4c3)CCCC2)CCCC1
InChIInChI=1S/C22H24O4/c23-19(24)21(11-3-4-12-21)20(25)26-22(13-5-6-14-22)18-10-9-16-7-1-2-8-17(16)15-18/h1-2,7-10,15H,3-6,11-14H2,(H,23,24)
InChIKeyPSJJNDJSVNJMLP-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.80
Rot. Bonds4

About 1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid

1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid (PubChem CID 170443114) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
PubChem CID170443114
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OC2(c3ccc4ccccc4c3)CCCC2)CCCC1
InChIInChI=1S/C22H24O4/c23-19(24)21(11-3-4-12-21)20(25)26-22(13-5-6-14-22)18-10-9-16-7-1-2-8-17(16)15-18/h1-2,7-10,15H,3-6,11-14H2,(H,23,24)
InChIKeyPSJJNDJSVNJMLP-UHFFFAOYSA-N
XLogP4.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443105
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
(1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate
CID 165100881
3-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 117050280
1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid
CID 170443109
cis-(1S,2R)-2-hydroxy-1-naphthalen-2-ylcyclohexane-1-carboxylic acid
CID 68673102
(1-naphthalen-2-ylcyclopentyl) 2-[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxyacetate
CID 169017465
1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
CID 117355313
1-(1-naphthalen-2-ylcyclobutyl)propan-1-one
CID 174403861
methyl 2-(2-hydroxy-2-naphthalen-2-yl-1-phenylcyclohexyl)acetate
CID 15402497
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
1-butoxycarbonyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 19044683

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid (CID 170443114) is 1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid is O=C(O)C1(C(=O)OC2(c3ccc4ccccc4c3)CCCC2)CCCC1.
What is the InChIKey of 1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid?
The InChIKey is PSJJNDJSVNJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c23-19(24)21(11-3-4-12-21)20(25)26-22(13-5-6-14-22)18-10-9-16-7-1-2-8-17(16)15-18/h1-2,7-10,15H,3-6,11-14H2,(H,23,24).
What are the key properties of 1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid?
1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid has a molecular weight of 352.43 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 170443114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).