(5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol

C12H25NO2 — CID 22755126

IUPAC(5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol
SMILESCCC(CC)/C(=N\O)C(O)C(CC)CC
InChIInChI=1S/C12H25NO2/c1-5-9(6-2)11(13-15)12(14)10(7-3)8-4/h9-10,12,14-15H,5-8H2,1-4H3/b13-11+
InChIKeyAZEWOGSQSIPXRX-ACCUITESSA-N
MW215.34 g/mol
LogP3.05
Rot. Bonds7

About (5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol

(5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol (PubChem CID 22755126) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol.

Molecular Properties

Compound Name(5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol
PubChem CID22755126
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol
SMILESCCC(CC)/C(=N\O)C(O)C(CC)CC
InChIInChI=1S/C12H25NO2/c1-5-9(6-2)11(13-15)12(14)10(7-3)8-4/h9-10,12,14-15H,5-8H2,1-4H3/b13-11+
InChIKeyAZEWOGSQSIPXRX-ACCUITESSA-N
XLogP3.05
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol?
The IUPAC name of (5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol (CID 22755126) is (5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol.
What is the SMILES notation for (5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol?
The canonical SMILES for (5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol is CCC(CC)/C(=N\O)C(O)C(CC)CC.
What is the InChIKey of (5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol?
The InChIKey is AZEWOGSQSIPXRX-ACCUITESSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-9(6-2)11(13-15)12(14)10(7-3)8-4/h9-10,12,14-15H,5-8H2,1-4H3/b13-11+.
What are the key properties of (5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol?
(5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol has a molecular weight of 215.34 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol is sourced from PubChem (CID 22755126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).