3-butyl-1-hydroxyimino-1-phenyldecan-2-ol

C20H33NO2 — CID 87364737

IUPAC3-butyl-1-hydroxyimino-1-phenyldecan-2-ol
SMILESCCCCCCCC(CCCC)C(O)C(=NO)c1ccccc1
InChIInChI=1S/C20H33NO2/c1-3-5-7-8-10-16-18(13-6-4-2)20(22)19(21-23)17-14-11-9-12-15-17/h9,11-12,14-15,18,20,22-23H,3-8,10,13,16H2,1-2H3
InChIKeyMKRXBIJYBSELJJ-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.39
Rot. Bonds12

About 3-butyl-1-hydroxyimino-1-phenyldecan-2-ol

3-butyl-1-hydroxyimino-1-phenyldecan-2-ol (PubChem CID 87364737) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 3-butyl-1-hydroxyimino-1-phenyldecan-2-ol.

Molecular Properties

Compound Name3-butyl-1-hydroxyimino-1-phenyldecan-2-ol
PubChem CID87364737
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name3-butyl-1-hydroxyimino-1-phenyldecan-2-ol
SMILESCCCCCCCC(CCCC)C(O)C(=NO)c1ccccc1
InChIInChI=1S/C20H33NO2/c1-3-5-7-8-10-16-18(13-6-4-2)20(22)19(21-23)17-14-11-9-12-15-17/h9,11-12,14-15,18,20,22-23H,3-8,10,13,16H2,1-2H3
InChIKeyMKRXBIJYBSELJJ-UHFFFAOYSA-N
XLogP5.39
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

1-hydroxyimino-1-phenyl-3-propylheptan-2-ol
CID 87636267
1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol
CID 86742843
2-hexyl-3-(3-hydroxybutyl)-1-phenyloctan-1-one
CID 141148045
benzoic acid;decan-5-ol
CID 71345643
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine
CID 71364022
dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol
CID 6310409
(1R)-1-phenyloctan-1-ol
CID 12794259
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
3-hexadecyl-2-phenylnonadecan-1-amine
CID 175285044

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-hydroxyimino-1-phenyldecan-2-ol?
The IUPAC name of 3-butyl-1-hydroxyimino-1-phenyldecan-2-ol (CID 87364737) is 3-butyl-1-hydroxyimino-1-phenyldecan-2-ol.
What is the SMILES notation for 3-butyl-1-hydroxyimino-1-phenyldecan-2-ol?
The canonical SMILES for 3-butyl-1-hydroxyimino-1-phenyldecan-2-ol is CCCCCCCC(CCCC)C(O)C(=NO)c1ccccc1.
What is the InChIKey of 3-butyl-1-hydroxyimino-1-phenyldecan-2-ol?
The InChIKey is MKRXBIJYBSELJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-5-7-8-10-16-18(13-6-4-2)20(22)19(21-23)17-14-11-9-12-15-17/h9,11-12,14-15,18,20,22-23H,3-8,10,13,16H2,1-2H3.
What are the key properties of 3-butyl-1-hydroxyimino-1-phenyldecan-2-ol?
3-butyl-1-hydroxyimino-1-phenyldecan-2-ol has a molecular weight of 319.49 g/mol, XLogP of 5.39, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-hydroxyimino-1-phenyldecan-2-ol is sourced from PubChem (CID 87364737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).