[2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium

C9H22O5P+ — CID 87960720

IUPAC[2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium
SMILESCCCCC(CC)(CO)C(O)[P+](O)(O)O
InChIInChI=1S/C9H22O5P/c1-3-5-6-9(4-2,7-10)8(11)15(12,13)14/h8,10-14H,3-7H2,1-2H3/q+1
InChIKeyMXGQQWBIPJXYFY-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.62
Rot. Bonds7

About [2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium

[2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium (PubChem CID 87960720) has the molecular formula C9H22O5P+ and a molecular weight of 241.24 g/mol. Its IUPAC name is [2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium
PubChem CID87960720
Molecular FormulaC9H22O5P+
Molecular Weight241.24 g/mol
Exact Mass241.12
IUPAC Name[2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium
SMILESCCCCC(CC)(CO)C(O)[P+](O)(O)O
InChIInChI=1S/C9H22O5P/c1-3-5-6-9(4-2,7-10)8(11)15(12,13)14/h8,10-14H,3-7H2,1-2H3/q+1
InChIKeyMXGQQWBIPJXYFY-UHFFFAOYSA-N
XLogP0.62
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-ethyl-4-methylpentane-1,3-diol
CID 19375182
2-butyl-2-ethylpentane-1,3-diol
CID 18330697
2,2-diethyloctane-1,1-diol
CID 18324063
4-amino-2,2-dipentylbutane-1,3-diol
CID 88820796
2-hexyl-2-propan-2-ylpropane-1,3-diol
CID 79450743
2-heptyl-2-propan-2-ylpropane-1,3-diol
CID 79450915
2-decyl-2-propan-2-ylpropane-1,3-diol
CID 79450466
2,2-diethylhexane-1,3-diol
CID 19373836
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
4,4-dihexyltridecane-1,2,3-triol
CID 87647461
5-ethyl-5-propan-2-yltetradecane
CID 123207557
4,4-diethylhexane-1,5-diol
CID 151120495

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium?
The IUPAC name of [2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium (CID 87960720) is [2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium.
What is the SMILES notation for [2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium?
The canonical SMILES for [2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium is CCCCC(CC)(CO)C(O)[P+](O)(O)O.
What is the InChIKey of [2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium?
The InChIKey is MXGQQWBIPJXYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O5P/c1-3-5-6-9(4-2,7-10)8(11)15(12,13)14/h8,10-14H,3-7H2,1-2H3/q+1.
What are the key properties of [2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium?
[2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium has a molecular weight of 241.24 g/mol, XLogP of 0.62, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium is sourced from PubChem (CID 87960720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).