1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate

C20H22O3 — CID 18336663

IUPAC1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate
SMILESCC(OC(=O)C(=O)C1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C20H22O3/c1-14(17-12-11-15-7-5-6-10-18(15)13-17)23-20(22)19(21)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3
InChIKeyCKYAYJLIPZHHPE-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.59
Rot. Bonds4

About 1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate

1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate (PubChem CID 18336663) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate.

Molecular Properties

Compound Name1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate
PubChem CID18336663
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate
SMILESCC(OC(=O)C(=O)C1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C20H22O3/c1-14(17-12-11-15-7-5-6-10-18(15)13-17)23-20(22)19(21)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3
InChIKeyCKYAYJLIPZHHPE-UHFFFAOYSA-N
XLogP4.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl-p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyl)benzoate
CID 6437076
Ethyl 2-naphthoate
CID 76363
5-Naphthalen-2-yloxolan-2-one
CID 252693
Methyl 9-anthracenecarboxylate
CID 98905
Diisobutyl 3,9-perylenedicarboxylate
CID 75973
Ethyl 4-[(10-oxoanthracen-9-ylidene)methyl]benzoate
CID 11057350
methyl 4-[(E)-3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoate
CID 13632690
(2R)-2-(2-methylnaphthalen-1-yl)-2,3-dihydropyran-6-one
CID 44570285
(2R)-2-(4-methylnaphthalen-1-yl)-2,3-dihydropyran-6-one
CID 44570286
3-Methylidene-5-naphthalen-1-yloxolan-2-one
CID 44585300
2-Ethylhexyl 4-Phenylbenzophenone-2'-Carboxylate
CID 135606
Acetic acid 10-acetoxymethyl-anthracen-9-ylmethyl ester
CID 613145

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate?
The IUPAC name of 1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate (CID 18336663) is 1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate.
What is the SMILES notation for 1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate?
The canonical SMILES for 1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate is CC(OC(=O)C(=O)C1CCCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate?
The InChIKey is CKYAYJLIPZHHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-14(17-12-11-15-7-5-6-10-18(15)13-17)23-20(22)19(21)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3.
What are the key properties of 1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate?
1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate has a molecular weight of 310.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylethyl 2-cyclohexyl-2-oxoacetate is sourced from PubChem (CID 18336663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).