dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol

C22H31NO2Sn — CID 6310409

IUPACdibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol
SMILESCCCC[Sn]CCCC.O/N=C(/c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H13NO2.2C4H9.Sn/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11;2*1-3-4-2;/h1-10,14,16-17H;2*1,3-4H2,2H3;/b15-13-;;;
InChIKeyGXPMNUSIGLIUCZ-WJPKGVJZSA-N
MW460.21 g/mol
LogP5.73
Rot. Bonds9

About dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol

dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol (PubChem CID 6310409) has the molecular formula C22H31NO2Sn and a molecular weight of 460.21 g/mol. Its IUPAC name is dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol.

Molecular Properties

Compound Namedibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol
PubChem CID6310409
Molecular FormulaC22H31NO2Sn
Molecular Weight460.21 g/mol
Exact Mass461.14
IUPAC Namedibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol
SMILESCCCC[Sn]CCCC.O/N=C(/c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H13NO2.2C4H9.Sn/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11;2*1-3-4-2;/h1-10,14,16-17H;2*1,3-4H2,2H3;/b15-13-;;;
InChIKeyGXPMNUSIGLIUCZ-WJPKGVJZSA-N
XLogP5.73
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.21
LogP ≤ 55.73
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

(1R,2Z)-2-[(E)-[(2S)-2-hydroxy-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanol
CID 7340294
1-hydroxyimino-1-phenyl-3-propylheptan-2-ol
CID 87636267
3-butyl-1-hydroxyimino-1-phenyldecan-2-ol
CID 87364737
(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832
(2Z)-2-methoxyimino-1,2-diphenylethanol
CID 10922703
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
2-hydroxy-1,2-diphenylethanone;nonan-5-one
CID 69310835
1-hydroxyimino-4-methyl-1-phenylhexan-2-ol
CID 87881302
(1S)-1-phenylpentan-1-ol
CID 6992754
2-butylsulfanyl-1,2-diphenylethanone
CID 4125598

Frequently Asked Questions

What is the IUPAC name of dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol?
The IUPAC name of dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol (CID 6310409) is dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol.
What is the SMILES notation for dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol?
The canonical SMILES for dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol is CCCC[Sn]CCCC.O/N=C(/c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol?
The InChIKey is GXPMNUSIGLIUCZ-WJPKGVJZSA-N. The full InChI is InChI=1S/C14H13NO2.2C4H9.Sn/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11;2*1-3-4-2;/h1-10,14,16-17H;2*1,3-4H2,2H3;/b15-13-;;;.
What are the key properties of dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol?
dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol has a molecular weight of 460.21 g/mol, XLogP of 5.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol is sourced from PubChem (CID 6310409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).