(2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol

C8H15NO3 — CID 45091147

IUPAC(2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol
SMILESCCOC1(O)CCCC/C1=N/O
InChIInChI=1S/C8H15NO3/c1-2-12-8(10)6-4-3-5-7(8)9-11/h10-11H,2-6H2,1H3/b9-7-
InChIKeyNXGUXPAYTOXDLJ-CLFYSBASSA-N
MW173.21 g/mol
LogP1.12
Rot. Bonds2

About (2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol

(2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol (PubChem CID 45091147) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol.

Molecular Properties

Compound Name(2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol
PubChem CID45091147
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol
SMILESCCOC1(O)CCCC/C1=N/O
InChIInChI=1S/C8H15NO3/c1-2-12-8(10)6-4-3-5-7(8)9-11/h10-11H,2-6H2,1H3/b9-7-
InChIKeyNXGUXPAYTOXDLJ-CLFYSBASSA-N
XLogP1.12
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol?
The IUPAC name of (2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol (CID 45091147) is (2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol.
What is the SMILES notation for (2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol?
The canonical SMILES for (2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol is CCOC1(O)CCCC/C1=N/O.
What is the InChIKey of (2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol?
The InChIKey is NXGUXPAYTOXDLJ-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-12-8(10)6-4-3-5-7(8)9-11/h10-11H,2-6H2,1H3/b9-7-.
What are the key properties of (2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol?
(2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol has a molecular weight of 173.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol is sourced from PubChem (CID 45091147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).