3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol

C8H17NO2 — CID 122495042

IUPAC3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol
SMILESCC1(C)C(O)C(C)(C)C1ON
InChIInChI=1S/C8H17NO2/c1-7(2)5(10)8(3,4)6(7)11-9/h5-6,10H,9H2,1-4H3
InChIKeyMILJOGJJTDESEB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.67
Rot. Bonds1

About 3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol

3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol (PubChem CID 122495042) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol
PubChem CID122495042
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol
SMILESCC1(C)C(O)C(C)(C)C1ON
InChIInChI=1S/C8H17NO2/c1-7(2)5(10)8(3,4)6(7)11-9/h5-6,10H,9H2,1-4H3
InChIKeyMILJOGJJTDESEB-UHFFFAOYSA-N
XLogP0.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol?
The IUPAC name of 3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol (CID 122495042) is 3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol.
What is the SMILES notation for 3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol?
The canonical SMILES for 3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol is CC1(C)C(O)C(C)(C)C1ON.
What is the InChIKey of 3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol?
The InChIKey is MILJOGJJTDESEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)5(10)8(3,4)6(7)11-9/h5-6,10H,9H2,1-4H3.
What are the key properties of 3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol?
3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol has a molecular weight of 159.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol is sourced from PubChem (CID 122495042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).