1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid

C21H24O4 — CID 170443109

IUPAC1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid
SMILESCCC(C)(OC(=O)C1(C(=O)O)CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H24O4/c1-3-20(2,17-11-10-15-8-4-5-9-16(15)14-17)25-19(24)21(18(22)23)12-6-7-13-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,23)
InChIKeyLQRTXOXOIZHEQZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.65
Rot. Bonds5

About 1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid

1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid (PubChem CID 170443109) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid
PubChem CID170443109
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid
SMILESCCC(C)(OC(=O)C1(C(=O)O)CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H24O4/c1-3-20(2,17-11-10-15-8-4-5-9-16(15)14-17)25-19(24)21(18(22)23)12-6-7-13-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,23)
InChIKeyLQRTXOXOIZHEQZ-UHFFFAOYSA-N
XLogP4.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.65
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-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443114
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993
2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene
CID 57148358
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate
CID 132990782
2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
CID 62398445
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
(2R)-2-(2-hydroxy-3,3-dimethyl-2-naphthalen-2-ylbutanoyl)pyrrolidine-2-carboxylic acid
CID 57151394
2-fluoro-2-naphthalen-2-ylpropanamide
CID 91088349
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid (CID 170443109) is 1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid is CCC(C)(OC(=O)C1(C(=O)O)CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is LQRTXOXOIZHEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-3-20(2,17-11-10-15-8-4-5-9-16(15)14-17)25-19(24)21(18(22)23)12-6-7-13-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,23).
What are the key properties of 1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid?
1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 170443109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).