4-Acetoxy-tempo

C11H20NO3 — CID 573160

IUPAC—
SMILESCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C11H20NO3/c1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9/h9H,6-7H2,1-5H3
InChIKeyKDMUXDXMUIHIGX-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.92
Rot. Bonds1

About 4-Acetoxy-tempo

4-Acetoxy-tempo (PubChem CID 573160) has the molecular formula C11H20NO3 and a molecular weight of 214.28 g/mol.

Molecular Properties

Compound Name4-Acetoxy-tempo
PubChem CID573160
Molecular FormulaC11H20NO3
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name—
SMILESCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C11H20NO3/c1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9/h9H,6-7H2,1-5H3
InChIKeyKDMUXDXMUIHIGX-UHFFFAOYSA-N
XLogP1.92
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-Acetoxy-tempo?
The IUPAC name of 4-Acetoxy-tempo (CID 573160) is not available.
What is the SMILES notation for 4-Acetoxy-tempo?
The canonical SMILES for 4-Acetoxy-tempo is CC(=O)OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of 4-Acetoxy-tempo?
The InChIKey is KDMUXDXMUIHIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO3/c1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9/h9H,6-7H2,1-5H3.
What are the key properties of 4-Acetoxy-tempo?
4-Acetoxy-tempo has a molecular weight of 214.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Acetoxy-tempo is sourced from PubChem (CID 573160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).