hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium

C4H10O4P+ — CID 122542023

IUPAChydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium
SMILESCC(CO)CO[P+](=O)O
InChIInChI=1S/C4H9O4P/c1-4(2-5)3-8-9(6)7/h4-5H,2-3H2,1H3/p+1
InChIKeyRNGHAQXSTXBHLH-UHFFFAOYSA-O
MW153.09 g/mol
LogP0.28
Rot. Bonds4

About hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium

hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium (PubChem CID 122542023) has the molecular formula C4H10O4P+ and a molecular weight of 153.09 g/mol. Its IUPAC name is hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium
PubChem CID122542023
Molecular FormulaC4H10O4P+
Molecular Weight153.09 g/mol
Exact Mass153.03
IUPAC Namehydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium
SMILESCC(CO)CO[P+](=O)O
InChIInChI=1S/C4H9O4P/c1-4(2-5)3-8-9(6)7/h4-5H,2-3H2,1H3/p+1
InChIKeyRNGHAQXSTXBHLH-UHFFFAOYSA-O
XLogP0.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.09
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane
CID 87604584
1-[hydroxy(oxo)phosphaniumyl]oxypropane-2-sulfinate
CID 174516434
1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol
CID 157414663
azane;hydroxy-(hydroxymethoxy)-oxophosphanium
CID 175032722
1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium
CID 88620344
bis(3-hydroxy-2-methylpropyl) butanedioate
CID 58942758
(3-hydroxy-2-methylpropyl) hydrogen sulfate
CID 91275224
(2S)-2-methyl-3-methylperoxypropan-1-ol
CID 88887750
(3-hydroxy-2-methylpropoxy)boronic acid
CID 18764610
(3-hydroxy-2-methylpropyl)-oxido-oxophosphanium
CID 159444986
CID 6368648
CID 6368648
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511

Frequently Asked Questions

What is the IUPAC name of hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium?
The IUPAC name of hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium (CID 122542023) is hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium is CC(CO)CO[P+](=O)O.
What is the InChIKey of hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium?
The InChIKey is RNGHAQXSTXBHLH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9O4P/c1-4(2-5)3-8-9(6)7/h4-5H,2-3H2,1H3/p+1.
What are the key properties of hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium?
hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium has a molecular weight of 153.09 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium is sourced from PubChem (CID 122542023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).