(E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol

C8H15NO3 — CID 90198541

IUPAC(E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol
SMILESC[C@@H](C/C=C/CO)OC/C=N\O
InChIInChI=1S/C8H15NO3/c1-8(4-2-3-6-10)12-7-5-9-11/h2-3,5,8,10-11H,4,6-7H2,1H3/b3-2+,9-5-/t8-/m0/s1
InChIKeyZYZPOEXRMXEQTP-MQMFLTQBSA-N
MW173.21 g/mol
LogP0.79
Rot. Bonds6

About (E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol

(E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol (PubChem CID 90198541) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol.

Molecular Properties

Compound Name(E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol
PubChem CID90198541
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol
SMILESC[C@@H](C/C=C/CO)OC/C=N\O
InChIInChI=1S/C8H15NO3/c1-8(4-2-3-6-10)12-7-5-9-11/h2-3,5,8,10-11H,4,6-7H2,1H3/b3-2+,9-5-/t8-/m0/s1
InChIKeyZYZPOEXRMXEQTP-MQMFLTQBSA-N
XLogP0.79
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol?
The IUPAC name of (E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol (CID 90198541) is (E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol.
What is the SMILES notation for (E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol?
The canonical SMILES for (E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol is C[C@@H](C/C=C/CO)OC/C=N\O.
What is the InChIKey of (E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol?
The InChIKey is ZYZPOEXRMXEQTP-MQMFLTQBSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(4-2-3-6-10)12-7-5-9-11/h2-3,5,8,10-11H,4,6-7H2,1H3/b3-2+,9-5-/t8-/m0/s1.
What are the key properties of (E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol?
(E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol has a molecular weight of 173.21 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol is sourced from PubChem (CID 90198541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).