ContaminantDB: Amino alkoxy polydimethylsiloxane, hydroxy- terminated (generic)

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:46:27 UTC

Update Date

2016-11-09 01:13:48 UTC

Accession Number

CHEM008462

Identification

Common Name

Amino alkoxy polydimethylsiloxane, hydroxy- terminated (generic)

Class

Small Molecule

Description

Contaminant Sources

FooDB Chemicals
HPV EPA Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
HYDROXIDE ion	ChEBI
OH(-)	ChEBI
Hydroxyl ion	MeSH
Hydridooxygenate(1-)	HMDB
Hydrogen oxide	HMDB
Hydroxide anion	HMDB
Hydroxide ion(1-)	HMDB
Hydroxide(1-)	HMDB
Hydroxy	HMDB
Hydroxy anion	HMDB
Hydroxy ion	HMDB
Hydroxyl	HMDB
Hydroxyl anion	HMDB
Hydroxyl ion (OH1-)	HMDB
Hydroxyl radical	HMDB
Hydroxyl radicals	HMDB
OH	HMDB
Oxidanide	HMDB
Oxygen ion (O1-)	HMDB
Water ion(1-)	HMDB

Chemical Formula

Average Molecular Mass

17.007 g/mol

Monoisotopic Mass

17.003 g/mol

CAS Registry Number

233159

IUPAC Name

hydroxide

Traditional Name

hydroxide

SMILES

[OH-]

InChI Identifier

InChI=1S/H2O/h1H2/p-1

InChI Key

XLYOFNOQVPJJNP-UHFFFAOYSA-M

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as non-metal hydroxides. These are inorganic non-metallic compounds containing the hydroxide group as its largest oxoanion.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Non-metal oxoanionic compounds

Sub Class

Non-metal hydroxides

Direct Parent

Non-metal hydroxides

Alternative Parents

Substituents

Non-metal hydroxide
Inorganic hydride
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

oxygen hydride (CHEBI:16234 )
an anion (OH )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-0.65	ChemAxon
pKa (Strongest Acidic)	15.7	ChemAxon
pKa (Strongest Basic)	-1.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	13.91 m³·mol⁻¹	ChemAxon
Polarizability	1.19 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-9000000000-8866e50c5f1c571c000d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-9000000000-8866e50c5f1c571c000d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9000000000-8866e50c5f1c571c000d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-9000000000-b337457efba80736ee4e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-9000000000-b337457efba80736ee4e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014i-9000000000-b337457efba80736ee4e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-9000000000-f607d1cf161edb4c9053	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-9000000000-f607d1cf161edb4c9053	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014i-9000000000-f607d1cf161edb4c9053	Spectrum