bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium

C10H22O7P+ — CID 57306279

IUPACbis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium
SMILESCC(CO)(CO)CO[P+](=O)OCC(C)(CO)CO
InChIInChI=1S/C10H22O7P/c1-9(3-11,4-12)7-16-18(15)17-8-10(2,5-13)6-14/h11-14H,3-8H2,1-2H3/q+1
InChIKeyPQLRPDBFLRTWSJ-UHFFFAOYSA-N
MW285.25 g/mol
LogP-0.34
Rot. Bonds10

About bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium

bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium (PubChem CID 57306279) has the molecular formula C10H22O7P+ and a molecular weight of 285.25 g/mol. Its IUPAC name is bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium
PubChem CID57306279
Molecular FormulaC10H22O7P+
Molecular Weight285.25 g/mol
Exact Mass285.11
IUPAC Namebis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium
SMILESCC(CO)(CO)CO[P+](=O)OCC(C)(CO)CO
InChIInChI=1S/C10H22O7P/c1-9(3-11,4-12)7-16-18(15)17-8-10(2,5-13)6-14/h11-14H,3-8H2,1-2H3/q+1
InChIKeyPQLRPDBFLRTWSJ-UHFFFAOYSA-N
XLogP-0.34
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Diethyl P-(1-hydroxy-2-methylpropyl)phosphonate
CID 99750
4-Dibutoxyphosphoryloxybutan-2-ol
CID 187696
2,2-Dimethyl-1,3-propanediol phosphate
CID 21409654
Butyl bis(3-hydroxybutyl) phosphate
CID 177195
1-Diethoxyphosphoryl-2,2-dimethylpropan-1-ol
CID 12688725
Bis(2,2-dimethylpropyl) hydrogen phosphate
CID 12706142
Tris-(3-hydroxypropyl) phosphate
CID 18380904
[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphate
CID 18398370
Dipentaerythritol phosphate
CID 88186869
2,2-Dimethylpropane-1,3-diol;phosphoric acid
CID 71323687
(2-Methoxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
CID 12795632
3-Hydroxypropyl dimethyl phosphate
CID 14840641

Frequently Asked Questions

What is the IUPAC name of bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium?
The IUPAC name of bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium (CID 57306279) is bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium.
What is the SMILES notation for bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium?
The canonical SMILES for bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium is CC(CO)(CO)CO[P+](=O)OCC(C)(CO)CO.
What is the InChIKey of bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium?
The InChIKey is PQLRPDBFLRTWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7P/c1-9(3-11,4-12)7-16-18(15)17-8-10(2,5-13)6-14/h11-14H,3-8H2,1-2H3/q+1.
What are the key properties of bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium?
bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium has a molecular weight of 285.25 g/mol, XLogP of -0.34, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium is sourced from PubChem (CID 57306279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).