ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium

C5H14O6P+ — CID 175079644

IUPACethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium
SMILESCCO[P+](CO)(OCO)OCO
InChIInChI=1S/C5H14O6P/c1-2-9-12(5-8,10-3-6)11-4-7/h6-8H,2-5H2,1H3/q+1
InChIKeyKQSWLGCIPMPMLD-UHFFFAOYSA-N
MW201.13 g/mol
LogP-0.33
Rot. Bonds7

About ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium

ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium (PubChem CID 175079644) has the molecular formula C5H14O6P+ and a molecular weight of 201.13 g/mol. Its IUPAC name is ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium.

Molecular Properties

Compound Nameethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium
PubChem CID175079644
Molecular FormulaC5H14O6P+
Molecular Weight201.13 g/mol
Exact Mass201.05
IUPAC Nameethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium
SMILESCCO[P+](CO)(OCO)OCO
InChIInChI=1S/C5H14O6P/c1-2-9-12(5-8,10-3-6)11-4-7/h6-8H,2-5H2,1H3/q+1
InChIKeyKQSWLGCIPMPMLD-UHFFFAOYSA-N
XLogP-0.33
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium
CID 87966512
(2S)-2-ethoxybutan-1-ol
CID 89167253
carbonic acid;2-ethoxypropane-1,3-diol
CID 175422223
carboxymethyl(triethoxy)phosphanium
CID 18978899
(2S)-2-ethoxybutane-1,4-diol
CID 89342985
1-(hydroxymethoxy)ethoxymethanol
CID 87328336
(2R)-2,3-diethoxypropan-1-ol
CID 129362297
ethane;2-methoxybutan-1-ol
CID 174440725
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
2-ethoxy-2-(methylamino)ethanol
CID 57110099
ethanol;ruthenium
CID 150841781
ethanol;ruthenium
CID 157358792

Frequently Asked Questions

What is the IUPAC name of ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium?
The IUPAC name of ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium (CID 175079644) is ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium.
What is the SMILES notation for ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium?
The canonical SMILES for ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium is CCO[P+](CO)(OCO)OCO.
What is the InChIKey of ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium?
The InChIKey is KQSWLGCIPMPMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O6P/c1-2-9-12(5-8,10-3-6)11-4-7/h6-8H,2-5H2,1H3/q+1.
What are the key properties of ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium?
ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium has a molecular weight of 201.13 g/mol, XLogP of -0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium is sourced from PubChem (CID 175079644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).