1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol

C12H27NO2 — CID 126671106

IUPAC1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol
SMILESCC(C)CC(C)(C)C(O)C(C)(C)CON
InChIInChI=1S/C12H27NO2/c1-9(2)7-11(3,4)10(14)12(5,6)8-15-13/h9-10,14H,7-8,13H2,1-6H3
InChIKeyCZEMXVVABSXFQV-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.34
Rot. Bonds6

About 1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol

1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol (PubChem CID 126671106) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol.

Molecular Properties

Compound Name1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol
PubChem CID126671106
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol
SMILESCC(C)CC(C)(C)C(O)C(C)(C)CON
InChIInChI=1S/C12H27NO2/c1-9(2)7-11(3,4)10(14)12(5,6)8-15-13/h9-10,14H,7-8,13H2,1-6H3
InChIKeyCZEMXVVABSXFQV-UHFFFAOYSA-N
XLogP2.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.34
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 1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol?
The IUPAC name of 1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol (CID 126671106) is 1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol.
What is the SMILES notation for 1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol?
The canonical SMILES for 1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol is CC(C)CC(C)(C)C(O)C(C)(C)CON.
What is the InChIKey of 1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol?
The InChIKey is CZEMXVVABSXFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-9(2)7-11(3,4)10(14)12(5,6)8-15-13/h9-10,14H,7-8,13H2,1-6H3.
What are the key properties of 1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol?
1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol has a molecular weight of 217.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol is sourced from PubChem (CID 126671106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).