tert-butyl 5-naphthalen-2-yl-4-oxopentanoate

C19H22O3 — CID 58498117

IUPACtert-butyl 5-naphthalen-2-yl-4-oxopentanoate
SMILESCC(C)(C)OC(=O)CCC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H22O3/c1-19(2,3)22-18(21)11-10-17(20)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyAWSOIUJAFXBODZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.07
Rot. Bonds5

About tert-butyl 5-naphthalen-2-yl-4-oxopentanoate

tert-butyl 5-naphthalen-2-yl-4-oxopentanoate (PubChem CID 58498117) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 5-naphthalen-2-yl-4-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 5-naphthalen-2-yl-4-oxopentanoate
PubChem CID58498117
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Nametert-butyl 5-naphthalen-2-yl-4-oxopentanoate
SMILESCC(C)(C)OC(=O)CCC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H22O3/c1-19(2,3)22-18(21)11-10-17(20)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyAWSOIUJAFXBODZ-UHFFFAOYSA-N
XLogP4.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-oxo-5-phenylpentanoate
CID 119056831
tert-butyl 5-naphthalen-1-yl-4-oxopentanoate
CID 159291703
tert-butyl 5-(3-isocyanophenyl)-4-oxopentanoate
CID 58498102
tert-butyl 4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoate
CID 141000789
tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate
CID 166000692
iodo 2-naphthalen-2-ylacetate
CID 129274840
tert-butyl 4-oxo-5-pyridin-3-ylpentanoate
CID 58498103
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
CID 140993282
2-piperidin-1-ium-4-ylpropan-2-yl 2-naphthalen-2-ylacetate
CID 167316426
CID 162695032
CID 162695032
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-naphthalen-2-yl-4-oxopentanoate?
The IUPAC name of tert-butyl 5-naphthalen-2-yl-4-oxopentanoate (CID 58498117) is tert-butyl 5-naphthalen-2-yl-4-oxopentanoate.
What is the SMILES notation for tert-butyl 5-naphthalen-2-yl-4-oxopentanoate?
The canonical SMILES for tert-butyl 5-naphthalen-2-yl-4-oxopentanoate is CC(C)(C)OC(=O)CCC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of tert-butyl 5-naphthalen-2-yl-4-oxopentanoate?
The InChIKey is AWSOIUJAFXBODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-19(2,3)22-18(21)11-10-17(20)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of tert-butyl 5-naphthalen-2-yl-4-oxopentanoate?
tert-butyl 5-naphthalen-2-yl-4-oxopentanoate has a molecular weight of 298.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-naphthalen-2-yl-4-oxopentanoate is sourced from PubChem (CID 58498117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).