tert-butyl 2-naphthalen-2-ylacetate

C16H18O2 — CID 13331679

IUPACtert-butyl 2-naphthalen-2-ylacetate
SMILESCC(C)(C)OC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H18O2/c1-16(2,3)18-15(17)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3
InChIKeyAJACKPZBVYKKRE-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.72
Rot. Bonds2

About tert-butyl 2-naphthalen-2-ylacetate

tert-butyl 2-naphthalen-2-ylacetate (PubChem CID 13331679) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-naphthalen-2-ylacetate
PubChem CID13331679
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Nametert-butyl 2-naphthalen-2-ylacetate
SMILESCC(C)(C)OC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H18O2/c1-16(2,3)18-15(17)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3
InChIKeyAJACKPZBVYKKRE-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-naphthalen-2-ylacetate?
The IUPAC name of tert-butyl 2-naphthalen-2-ylacetate (CID 13331679) is tert-butyl 2-naphthalen-2-ylacetate.
What is the SMILES notation for tert-butyl 2-naphthalen-2-ylacetate?
The canonical SMILES for tert-butyl 2-naphthalen-2-ylacetate is CC(C)(C)OC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of tert-butyl 2-naphthalen-2-ylacetate?
The InChIKey is AJACKPZBVYKKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-16(2,3)18-15(17)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3.
What are the key properties of tert-butyl 2-naphthalen-2-ylacetate?
tert-butyl 2-naphthalen-2-ylacetate has a molecular weight of 242.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-naphthalen-2-ylacetate is sourced from PubChem (CID 13331679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).