5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol

C17H27NO2 — CID 57351272

IUPAC5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol
SMILESCCCCC(CCC(C)O)CC(=NO)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-3-4-8-15(12-11-14(2)19)13-17(18-20)16-9-6-5-7-10-16/h5-7,9-10,14-15,19-20H,3-4,8,11-13H2,1-2H3
InChIKeyUHSURKDCQCGNGM-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.22
Rot. Bonds9

About 5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol

5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol (PubChem CID 57351272) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol.

Molecular Properties

Compound Name5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol
PubChem CID57351272
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol
SMILESCCCCC(CCC(C)O)CC(=NO)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-3-4-8-15(12-11-14(2)19)13-17(18-20)16-9-6-5-7-10-16/h5-7,9-10,14-15,19-20H,3-4,8,11-13H2,1-2H3
InChIKeyUHSURKDCQCGNGM-UHFFFAOYSA-N
XLogP4.22
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.22
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 5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol?
The IUPAC name of 5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol (CID 57351272) is 5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol.
What is the SMILES notation for 5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol?
The canonical SMILES for 5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol is CCCCC(CCC(C)O)CC(=NO)c1ccccc1.
What is the InChIKey of 5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol?
The InChIKey is UHSURKDCQCGNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-8-15(12-11-14(2)19)13-17(18-20)16-9-6-5-7-10-16/h5-7,9-10,14-15,19-20H,3-4,8,11-13H2,1-2H3.
What are the key properties of 5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol?
5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyimino-2-phenylethyl)nonan-2-ol is sourced from PubChem (CID 57351272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).