1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol

C10H20N2O5 — CID 174363355

IUPAC1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol
SMILESCC(CC(O)COCC(O)CC(C)=NO)=NO
InChIInChI=1S/C10H20N2O5/c1-7(11-15)3-9(13)5-17-6-10(14)4-8(2)12-16/h9-10,13-16H,3-6H2,1-2H3
InChIKeyGNCBJNUOAZVNCF-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.21
Rot. Bonds8

About 1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol

1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol (PubChem CID 174363355) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol
PubChem CID174363355
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol
SMILESCC(CC(O)COCC(O)CC(C)=NO)=NO
InChIInChI=1S/C10H20N2O5/c1-7(11-15)3-9(13)5-17-6-10(14)4-8(2)12-16/h9-10,13-16H,3-6H2,1-2H3
InChIKeyGNCBJNUOAZVNCF-UHFFFAOYSA-N
XLogP0.21
TPSA114.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol?
The IUPAC name of 1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol (CID 174363355) is 1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol.
What is the SMILES notation for 1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol?
The canonical SMILES for 1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol is CC(CC(O)COCC(O)CC(C)=NO)=NO.
What is the InChIKey of 1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol?
The InChIKey is GNCBJNUOAZVNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-7(11-15)3-9(13)5-17-6-10(14)4-8(2)12-16/h9-10,13-16H,3-6H2,1-2H3.
What are the key properties of 1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol?
1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol has a molecular weight of 248.28 g/mol, XLogP of 0.21, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol is sourced from PubChem (CID 174363355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).