[5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol

C9H19O5P — CID 141326939

IUPAC[5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
SMILESCCC1(CO)COP(=O)(CCOC)OC1
InChIInChI=1S/C9H19O5P/c1-3-9(6-10)7-13-15(11,14-8-9)5-4-12-2/h10H,3-8H2,1-2H3
InChIKeyBKQPIAPYFNKASB-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.26
Rot. Bonds5

About [5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol

[5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol (PubChem CID 141326939) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is [5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
PubChem CID141326939
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name[5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
SMILESCCC1(CO)COP(=O)(CCOC)OC1
InChIInChI=1S/C9H19O5P/c1-3-9(6-10)7-13-15(11,14-8-9)5-4-12-2/h10H,3-8H2,1-2H3
InChIKeyBKQPIAPYFNKASB-UHFFFAOYSA-N
XLogP1.26
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxypropyl 5-ethyl-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinane-2-carboxylate
CID 123259553
3,9-bis(2-dimethoxyphosphorylethyl)-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
CID 163406125
[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol
CID 58731913
[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
CID 141464010
[3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
CID 139424065
[5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol
CID 150381482
(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol
CID 59297314
[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol
CID 82953185
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647
5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 154088064
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane
CID 157089919
[3-(3-methoxypropyl)oxan-3-yl]methanol
CID 66059448

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The IUPAC name of [5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol (CID 141326939) is [5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol.
What is the SMILES notation for [5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The canonical SMILES for [5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol is CCC1(CO)COP(=O)(CCOC)OC1.
What is the InChIKey of [5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The InChIKey is BKQPIAPYFNKASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-3-9(6-10)7-13-15(11,14-8-9)5-4-12-2/h10H,3-8H2,1-2H3.
What are the key properties of [5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
[5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol has a molecular weight of 238.22 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol is sourced from PubChem (CID 141326939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).