4-methoxy-TEMPO

C10H20NO2 — CID 10313435

IUPAC—
SMILESCOC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C10H20NO2/c1-9(2)6-8(13-5)7-10(3,4)11(9)12/h8H,6-7H2,1-5H3
InChIKeySFXHWRCRQNGVLJ-UHFFFAOYSA-N
MW186.27 g/mol
LogP2.00
Rot. Bonds1

About 4-methoxy-TEMPO

4-methoxy-TEMPO (PubChem CID 10313435) has the molecular formula C10H20NO2 and a molecular weight of 186.27 g/mol.

Molecular Properties

Compound Name4-methoxy-TEMPO
PubChem CID10313435
Molecular FormulaC10H20NO2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name—
SMILESCOC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C10H20NO2/c1-9(2)6-8(13-5)7-10(3,4)11(9)12/h8H,6-7H2,1-5H3
InChIKeySFXHWRCRQNGVLJ-UHFFFAOYSA-N
XLogP2.00
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-TEMPO?
The IUPAC name of 4-methoxy-TEMPO (CID 10313435) is not available.
What is the SMILES notation for 4-methoxy-TEMPO?
The canonical SMILES for 4-methoxy-TEMPO is COC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of 4-methoxy-TEMPO?
The InChIKey is SFXHWRCRQNGVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO2/c1-9(2)6-8(13-5)7-10(3,4)11(9)12/h8H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-TEMPO?
4-methoxy-TEMPO has a molecular weight of 186.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-TEMPO is sourced from PubChem (CID 10313435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).