[2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate

C14H20O5 — CID 66854914

IUPAC[2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate
SMILESO=C(CO)OCC(=O)OC1CCC2C3CCC(C3)C12
InChIInChI=1S/C14H20O5/c15-6-12(16)18-7-13(17)19-11-4-3-10-8-1-2-9(5-8)14(10)11/h8-11,14-15H,1-7H2
InChIKeyPHGJETWFXOZCLJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.89
Rot. Bonds4

About [2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate

[2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate (PubChem CID 66854914) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is [2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate.

Molecular Properties

Compound Name[2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate
PubChem CID66854914
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name[2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate
SMILESO=C(CO)OCC(=O)OC1CCC2C3CCC(C3)C12
InChIInChI=1S/C14H20O5/c15-6-12(16)18-7-13(17)19-11-4-3-10-8-1-2-9(5-8)14(10)11/h8-11,14-15H,1-7H2
InChIKeyPHGJETWFXOZCLJ-UHFFFAOYSA-N
XLogP0.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate?
The IUPAC name of [2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate (CID 66854914) is [2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate.
What is the SMILES notation for [2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate?
The canonical SMILES for [2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate is O=C(CO)OCC(=O)OC1CCC2C3CCC(C3)C12.
What is the InChIKey of [2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate?
The InChIKey is PHGJETWFXOZCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c15-6-12(16)18-7-13(17)19-11-4-3-10-8-1-2-9(5-8)14(10)11/h8-11,14-15H,1-7H2.
What are the key properties of [2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate?
[2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate has a molecular weight of 268.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate is sourced from PubChem (CID 66854914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).