butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium

C6H16O5PS+ — CID 87364620

IUPACbutane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium
SMILESCCCC.CS(=O)(=O)CO[P+](=O)O
InChIInChI=1S/C4H10.C2H5O5PS/c1-3-4-2;1-9(5,6)2-7-8(3)4/h3-4H2,1-2H3;2H2,1H3/p+1
InChIKeyGQAIHNNHYJQBEN-UHFFFAOYSA-O
MW231.23 g/mol
LogP1.46
Rot. Bonds4

About butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium

butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium (PubChem CID 87364620) has the molecular formula C6H16O5PS+ and a molecular weight of 231.23 g/mol. Its IUPAC name is butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium.

Molecular Properties

Compound Namebutane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium
PubChem CID87364620
Molecular FormulaC6H16O5PS+
Molecular Weight231.23 g/mol
Exact Mass231.05
IUPAC Namebutane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium
SMILESCCCC.CS(=O)(=O)CO[P+](=O)O
InChIInChI=1S/C4H10.C2H5O5PS/c1-3-4-2;1-9(5,6)2-7-8(3)4/h3-4H2,1-2H3;2H2,1H3/p+1
InChIKeyGQAIHNNHYJQBEN-UHFFFAOYSA-O
XLogP1.46
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methylsulfonylmethoxy-oxido-oxophosphanium
CID 21273987
CID 6368648
CID 6368648
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane
CID 88613126
butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium
CID 87841333
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
hydroxy-oxo-propylsulfonyloxyphosphanium
CID 174575206
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium
CID 118588536

Frequently Asked Questions

What is the IUPAC name of butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium?
The IUPAC name of butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium (CID 87364620) is butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium.
What is the SMILES notation for butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium?
The canonical SMILES for butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium is CCCC.CS(=O)(=O)CO[P+](=O)O.
What is the InChIKey of butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium?
The InChIKey is GQAIHNNHYJQBEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10.C2H5O5PS/c1-3-4-2;1-9(5,6)2-7-8(3)4/h3-4H2,1-2H3;2H2,1H3/p+1.
What are the key properties of butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium?
butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium has a molecular weight of 231.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium is sourced from PubChem (CID 87364620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).