ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

C14H16O3 — CID 13368011

IUPACethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCCOC(=O)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H16O3/c1-2-17-14(16)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,2-6H2,1H3
InChIKeyFSFBUINHZSBSIG-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.31
Rot. Bonds3

About ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 13368011) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID13368011
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCCOC(=O)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H16O3/c1-2-17-14(16)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,2-6H2,1H3
InChIKeyFSFBUINHZSBSIG-UHFFFAOYSA-N
XLogP2.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 13368011) is ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is CCOC(=O)C(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is FSFBUINHZSBSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-17-14(16)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,2-6H2,1H3.
What are the key properties of ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 232.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 13368011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).