bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium

C4H8Cl2O9P+ — CID 175251788

IUPACbis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium
SMILESO=[P+](OC(Cl)C(O)(O)O)OC(Cl)C(O)(O)O
InChIInChI=1S/C4H8Cl2O9P/c5-1(3(7,8)9)14-16(13)15-2(6)4(10,11)12/h1-2,7-12H/q+1
InChIKeyUEVUEPVXJSIAJL-UHFFFAOYSA-N
MW301.98 g/mol
LogP-1.93
Rot. Bonds6

About bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium

bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium (PubChem CID 175251788) has the molecular formula C4H8Cl2O9P+ and a molecular weight of 301.98 g/mol. Its IUPAC name is bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium
PubChem CID175251788
Molecular FormulaC4H8Cl2O9P+
Molecular Weight301.98 g/mol
Exact Mass300.93
IUPAC Namebis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium
SMILESO=[P+](OC(Cl)C(O)(O)O)OC(Cl)C(O)(O)O
InChIInChI=1S/C4H8Cl2O9P/c5-1(3(7,8)9)14-16(13)15-2(6)4(10,11)12/h1-2,7-12H/q+1
InChIKeyUEVUEPVXJSIAJL-UHFFFAOYSA-N
XLogP-1.93
TPSA156.91 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.98
LogP ≤ 5-1.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis[chloro(cyano)methoxy]-oxophosphanium
CID 87671692
bis(difluoromethoxy)-oxophosphanium
CID 21265767
bis(diaminomethoxy)-oxophosphanium
CID 88635962
bis(1-amino-2-methyl-2-sulfanylpropoxy)-oxophosphanium
CID 56976746
bis(1-carboxyprop-2-enoxy)-oxophosphanium
CID 87520434
bis(4-hydroxyhexan-3-yloxy)-oxophosphanium
CID 91487781
oxo-bis(1,1,2-trichlorobutoxy)phosphanium
CID 22748458
[(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium
CID 52947808
di(heptan-4-yloxy)-oxophosphanium
CID 57260615
bis(1-fluoro-2-oxobut-3-enoxy)-oxophosphanium
CID 87873058
1,1,2,2-tetrachloroethanol
CID 18356623
bis(1-chloro-2,2-dimethylpropyl) carbonate
CID 87652790

Frequently Asked Questions

What is the IUPAC name of bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium?
The IUPAC name of bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium (CID 175251788) is bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium.
What is the SMILES notation for bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium?
The canonical SMILES for bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium is O=[P+](OC(Cl)C(O)(O)O)OC(Cl)C(O)(O)O.
What is the InChIKey of bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium?
The InChIKey is UEVUEPVXJSIAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O9P/c5-1(3(7,8)9)14-16(13)15-2(6)4(10,11)12/h1-2,7-12H/q+1.
What are the key properties of bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium?
bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium has a molecular weight of 301.98 g/mol, XLogP of -1.93, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium is sourced from PubChem (CID 175251788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).