[1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate

C8H20Cl3O4PSi2 — CID 87637440

IUPAC[1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate
SMILESC[Si](C)(C)C(Cl)(C(Cl)(Cl)OP(=O)(O)O)[Si](C)(C)C
InChIInChI=1S/C8H20Cl3O4PSi2/c1-17(2,3)8(11,18(4,5)6)7(9,10)15-16(12,13)14/h1-6H3,(H2,12,13,14)
InChIKeyVVZIXVYEXKIAKW-UHFFFAOYSA-N
MW373.75 g/mol
LogP3.96
Rot. Bonds5

About [1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate

[1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate (PubChem CID 87637440) has the molecular formula C8H20Cl3O4PSi2 and a molecular weight of 373.75 g/mol. Its IUPAC name is [1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate.

Molecular Properties

Compound Name[1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate
PubChem CID87637440
Molecular FormulaC8H20Cl3O4PSi2
Molecular Weight373.75 g/mol
Exact Mass371.97
IUPAC Name[1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate
SMILESC[Si](C)(C)C(Cl)(C(Cl)(Cl)OP(=O)(O)O)[Si](C)(C)C
InChIInChI=1S/C8H20Cl3O4PSi2/c1-17(2,3)8(11,18(4,5)6)7(9,10)15-16(12,13)14/h1-6H3,(H2,12,13,14)
InChIKeyVVZIXVYEXKIAKW-UHFFFAOYSA-N
XLogP3.96
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

[chloro-bis[(2-methylpropan-2-yl)oxy]methyl] dihydrogen phosphate
CID 141164349
[1,1,2,2,3-pentafluoro-3,3-bis(trimethylsilyl)propyl] dihydrogen phosphate
CID 87637332
[2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate
CID 87637334
1,1,2-trichloropropyl dihydrogen phosphate
CID 3036981
(1,1,1,2,3,4-hexachloro-3-methylbutan-2-yl) dihydrogen phosphate
CID 175190839
[hydroxy(dimethoxy)methyl] dihydrogen phosphate
CID 11851022
trifluoromethyl dihydrogen phosphate
CID 23129820
(2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate
CID 87919109
(3,5,5,5-tetrachloro-2-methylpentan-2-yl) dihydrogen phosphate
CID 54000646
(3-iodo-2,2,4,4-tetramethylpentan-3-yl) dihydrogen phosphate
CID 151636564
sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride
CID 175400534
[bromo(difluoro)methyl] dihydrogen phosphate
CID 141394885

Frequently Asked Questions

What is the IUPAC name of [1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate?
The IUPAC name of [1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate (CID 87637440) is [1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate.
What is the SMILES notation for [1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate?
The canonical SMILES for [1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate is C[Si](C)(C)C(Cl)(C(Cl)(Cl)OP(=O)(O)O)[Si](C)(C)C.
What is the InChIKey of [1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate?
The InChIKey is VVZIXVYEXKIAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20Cl3O4PSi2/c1-17(2,3)8(11,18(4,5)6)7(9,10)15-16(12,13)14/h1-6H3,(H2,12,13,14).
What are the key properties of [1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate?
[1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate has a molecular weight of 373.75 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate is sourced from PubChem (CID 87637440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).