(2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol

C9H15NO4 — CID 131847214

IUPAC(2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol
SMILESCCOC1C=CC(=NOC)C(CO)O1
InChIInChI=1S/C9H15NO4/c1-3-13-9-5-4-7(10-12-2)8(6-11)14-9/h4-5,8-9,11H,3,6H2,1-2H3
InChIKeySTDNVOMOZFTVGU-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.30
Rot. Bonds4

About (2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol

(2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol (PubChem CID 131847214) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol.

Molecular Properties

Compound Name(2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol
PubChem CID131847214
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol
SMILESCCOC1C=CC(=NOC)C(CO)O1
InChIInChI=1S/C9H15NO4/c1-3-13-9-5-4-7(10-12-2)8(6-11)14-9/h4-5,8-9,11H,3,6H2,1-2H3
InChIKeySTDNVOMOZFTVGU-UHFFFAOYSA-N
XLogP0.30
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol?
The IUPAC name of (2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol (CID 131847214) is (2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol.
What is the SMILES notation for (2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol?
The canonical SMILES for (2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol is CCOC1C=CC(=NOC)C(CO)O1.
What is the InChIKey of (2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol?
The InChIKey is STDNVOMOZFTVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-13-9-5-4-7(10-12-2)8(6-11)14-9/h4-5,8-9,11H,3,6H2,1-2H3.
What are the key properties of (2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol?
(2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol has a molecular weight of 201.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol is sourced from PubChem (CID 131847214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).