dichloro(1-diethoxyphosphorylpropoxy)stibane

C7H16Cl2O4PSb — CID 23412711

IUPACdichloro(1-diethoxyphosphorylpropoxy)stibane
SMILESCCOP(=O)(OCC)C(CC)O[Sb](Cl)Cl
InChIInChI=1S/C7H16O4P.2ClH.Sb/c1-4-7(8)12(9,10-5-2)11-6-3;;;/h7H,4-6H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyDIHSMSSNSLRJPJ-UHFFFAOYSA-L
MW387.84 g/mol
LogP3.47
Rot. Bonds8

About dichloro(1-diethoxyphosphorylpropoxy)stibane

dichloro(1-diethoxyphosphorylpropoxy)stibane (PubChem CID 23412711) has the molecular formula C7H16Cl2O4PSb and a molecular weight of 387.84 g/mol. Its IUPAC name is dichloro(1-diethoxyphosphorylpropoxy)stibane.

Molecular Properties

Compound Namedichloro(1-diethoxyphosphorylpropoxy)stibane
PubChem CID23412711
Molecular FormulaC7H16Cl2O4PSb
Molecular Weight387.84 g/mol
Exact Mass385.92
IUPAC Namedichloro(1-diethoxyphosphorylpropoxy)stibane
SMILESCCOP(=O)(OCC)C(CC)O[Sb](Cl)Cl
InChIInChI=1S/C7H16O4P.2ClH.Sb/c1-4-7(8)12(9,10-5-2)11-6-3;;;/h7H,4-6H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyDIHSMSSNSLRJPJ-UHFFFAOYSA-L
XLogP3.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diethoxyphosphorylbutane
CID 2733649
1-deuterio-3-diethoxyphosphorylbutane
CID 58697726
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
1-diethoxyphosphorylethanamine
CID 5149858
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
2-diethoxyphosphorylbutanenitrile
CID 13179404
2-diethoxyphosphoryl-3-methylbutanenitrile
CID 11031342
(2S,3R)-3-diethoxyphosphorylpentan-2-ol
CID 166436787
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
1-chloro-1-diethoxyphosphorylbutan-2-one
CID 13428109
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085

Frequently Asked Questions

What is the IUPAC name of dichloro(1-diethoxyphosphorylpropoxy)stibane?
The IUPAC name of dichloro(1-diethoxyphosphorylpropoxy)stibane (CID 23412711) is dichloro(1-diethoxyphosphorylpropoxy)stibane.
What is the SMILES notation for dichloro(1-diethoxyphosphorylpropoxy)stibane?
The canonical SMILES for dichloro(1-diethoxyphosphorylpropoxy)stibane is CCOP(=O)(OCC)C(CC)O[Sb](Cl)Cl.
What is the InChIKey of dichloro(1-diethoxyphosphorylpropoxy)stibane?
The InChIKey is DIHSMSSNSLRJPJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H16O4P.2ClH.Sb/c1-4-7(8)12(9,10-5-2)11-6-3;;;/h7H,4-6H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of dichloro(1-diethoxyphosphorylpropoxy)stibane?
dichloro(1-diethoxyphosphorylpropoxy)stibane has a molecular weight of 387.84 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(1-diethoxyphosphorylpropoxy)stibane is sourced from PubChem (CID 23412711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).