(5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol

C9H19NO4 — CID 140988325

IUPAC(5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol
SMILESC/C(CC(OCC(C)O)C(C)O)=N/O
InChIInChI=1S/C9H19NO4/c1-6(10-13)4-9(8(3)12)14-5-7(2)11/h7-9,11-13H,4-5H2,1-3H3/b10-6-
InChIKeyBPWPFGWCECFUHV-POHAHGRESA-N
MW205.25 g/mol
LogP0.37
Rot. Bonds6

About (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol

(5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol (PubChem CID 140988325) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol.

Molecular Properties

Compound Name(5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol
PubChem CID140988325
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol
SMILESC/C(CC(OCC(C)O)C(C)O)=N/O
InChIInChI=1S/C9H19NO4/c1-6(10-13)4-9(8(3)12)14-5-7(2)11/h7-9,11-13H,4-5H2,1-3H3/b10-6-
InChIKeyBPWPFGWCECFUHV-POHAHGRESA-N
XLogP0.37
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol?
The IUPAC name of (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol (CID 140988325) is (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol.
What is the SMILES notation for (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol?
The canonical SMILES for (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol is C/C(CC(OCC(C)O)C(C)O)=N/O.
What is the InChIKey of (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol?
The InChIKey is BPWPFGWCECFUHV-POHAHGRESA-N. The full InChI is InChI=1S/C9H19NO4/c1-6(10-13)4-9(8(3)12)14-5-7(2)11/h7-9,11-13H,4-5H2,1-3H3/b10-6-.
What are the key properties of (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol?
(5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol has a molecular weight of 205.25 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol is sourced from PubChem (CID 140988325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).