[(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane

C8H20ClO4PSi — CID 15867541

IUPAC[(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane
SMILESCOP(=O)(C[C@H](CCl)O[Si](C)(C)C)OC
InChIInChI=1S/C8H20ClO4PSi/c1-11-14(10,12-2)7-8(6-9)13-15(3,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyIMIDZJLFZFZYGU-QMMMGPOBSA-N
MW274.76 g/mol
LogP2.93
Rot. Bonds7

About [(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane

[(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane (PubChem CID 15867541) has the molecular formula C8H20ClO4PSi and a molecular weight of 274.76 g/mol. Its IUPAC name is [(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane
PubChem CID15867541
Molecular FormulaC8H20ClO4PSi
Molecular Weight274.76 g/mol
Exact Mass274.06
IUPAC Name[(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane
SMILESCOP(=O)(C[C@H](CCl)O[Si](C)(C)C)OC
InChIInChI=1S/C8H20ClO4PSi/c1-11-14(10,12-2)7-8(6-9)13-15(3,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyIMIDZJLFZFZYGU-QMMMGPOBSA-N
XLogP2.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane (CID 15867541) is [(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane is COP(=O)(C[C@H](CCl)O[Si](C)(C)C)OC.
What is the InChIKey of [(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane?
The InChIKey is IMIDZJLFZFZYGU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H20ClO4PSi/c1-11-14(10,12-2)7-8(6-9)13-15(3,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of [(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane?
[(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane has a molecular weight of 274.76 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-chloro-3-dimethoxyphosphorylpropan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 15867541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).