hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane

C8H20O3P+ — CID 87604584

IUPAChydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane
SMILESCC(C)C.CC(C)CO[P+](=O)O
InChIInChI=1S/C4H9O3P.C4H10/c1-4(2)3-7-8(5)6;1-4(2)3/h4H,3H2,1-2H3;4H,1-3H3/p+1
InChIKeyKCECBAHJXDOQDD-UHFFFAOYSA-O
MW195.22 g/mol
LogP2.97
Rot. Bonds3

About hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane

hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane (PubChem CID 87604584) has the molecular formula C8H20O3P+ and a molecular weight of 195.22 g/mol. Its IUPAC name is hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane.

Molecular Properties

Compound Namehydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane
PubChem CID87604584
Molecular FormulaC8H20O3P+
Molecular Weight195.22 g/mol
Exact Mass195.11
IUPAC Namehydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane
SMILESCC(C)C.CC(C)CO[P+](=O)O
InChIInChI=1S/C4H9O3P.C4H10/c1-4(2)3-7-8(5)6;1-4(2)3/h4H,3H2,1-2H3;4H,1-3H3/p+1
InChIKeyKCECBAHJXDOQDD-UHFFFAOYSA-O
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium
CID 122542023
1-[hydroxy(oxo)phosphaniumyl]oxypropane-2-sulfinate
CID 174516434
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
CID 6368648
CID 6368648
hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
CID 174980367
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
hexyl-(2-methylpropoxy)-oxophosphanium
CID 88827543
[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium
CID 88613904
azane;hydroxy-(hydroxymethoxy)-oxophosphanium
CID 175032722
[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-hydroxy-oxophosphanium
CID 88888094
1-carboxyethoxy-hydroxy-oxophosphanium
CID 88801828
[(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium
CID 101003842

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane?
The IUPAC name of hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane (CID 87604584) is hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane.
What is the SMILES notation for hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane?
The canonical SMILES for hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane is CC(C)C.CC(C)CO[P+](=O)O.
What is the InChIKey of hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane?
The InChIKey is KCECBAHJXDOQDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9O3P.C4H10/c1-4(2)3-7-8(5)6;1-4(2)3/h4H,3H2,1-2H3;4H,1-3H3/p+1.
What are the key properties of hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane?
hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane has a molecular weight of 195.22 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane is sourced from PubChem (CID 87604584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).