5-(hydroxyiminomethyl)nonan-2-ol

C10H21NO2 — CID 170560071

IUPAC5-(hydroxyiminomethyl)nonan-2-ol
SMILESCCCCC(C=NO)CCC(C)O
InChIInChI=1S/C10H21NO2/c1-3-4-5-10(8-11-13)7-6-9(2)12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyHBCJVNBUVHFEAT-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.41
Rot. Bonds7

About 5-(hydroxyiminomethyl)nonan-2-ol

5-(hydroxyiminomethyl)nonan-2-ol (PubChem CID 170560071) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-(hydroxyiminomethyl)nonan-2-ol.

Molecular Properties

Compound Name5-(hydroxyiminomethyl)nonan-2-ol
PubChem CID170560071
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name5-(hydroxyiminomethyl)nonan-2-ol
SMILESCCCCC(C=NO)CCC(C)O
InChIInChI=1S/C10H21NO2/c1-3-4-5-10(8-11-13)7-6-9(2)12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyHBCJVNBUVHFEAT-UHFFFAOYSA-N
XLogP2.41
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.41
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'}

Analyze 5-(hydroxyiminomethyl)nonan-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

Related Compounds

(NE)-N-(2-ethylhexylidene)hydroxylamine
CID 11252077
N-(2-hexadecylnonadecylidene)hydroxylamine
CID 87129124
hexan-2-ol;zirconium
CID 174835617
(NE)-N-(2-ethylbutylidene)hydroxylamine
CID 5354129
hexan-2-ol;pentan-2-ol
CID 88680973
N-(2-methylundecylidene)hydroxylamine
CID 72729964
benzene;hexan-2-ol
CID 174579547
(2R)-heptan-2-ol
CID 6992611
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
(2S)-heptan-2-ol;hydrochloride
CID 141119609

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxyiminomethyl)nonan-2-ol?
The IUPAC name of 5-(hydroxyiminomethyl)nonan-2-ol (CID 170560071) is 5-(hydroxyiminomethyl)nonan-2-ol.
What is the SMILES notation for 5-(hydroxyiminomethyl)nonan-2-ol?
The canonical SMILES for 5-(hydroxyiminomethyl)nonan-2-ol is CCCCC(C=NO)CCC(C)O.
What is the InChIKey of 5-(hydroxyiminomethyl)nonan-2-ol?
The InChIKey is HBCJVNBUVHFEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-10(8-11-13)7-6-9(2)12/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 5-(hydroxyiminomethyl)nonan-2-ol?
5-(hydroxyiminomethyl)nonan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyiminomethyl)nonan-2-ol is sourced from PubChem (CID 170560071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).