[5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol

C8H17O5P — CID 87171829

IUPAC[5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
SMILESCCOCC1(CO)COP(C)(=O)OC1
InChIInChI=1S/C8H17O5P/c1-3-11-5-8(4-9)6-12-14(2,10)13-7-8/h9H,3-7H2,1-2H3
InChIKeyNTDPZWJQAYLBBU-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.87
Rot. Bonds4

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

[5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol (PubChem CID 87171829) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is [5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol.

Molecular Properties

Compound Name[5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
PubChem CID87171829
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name[5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
SMILESCCOCC1(CO)COP(C)(=O)OC1
InChIInChI=1S/C8H17O5P/c1-3-11-5-8(4-9)6-12-14(2,10)13-7-8/h9H,3-7H2,1-2H3
InChIKeyNTDPZWJQAYLBBU-UHFFFAOYSA-N
XLogP0.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.87
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

Dipentaerythritol phosphate
CID 88186869
(2-Methoxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
CID 12795632
(2-Hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
CID 12795628
5,5-Dimethyl-2-(hydroxymethyl)-2-oxo-1,3,2-dioxaphosphorinan
CID 18981617
Diethyl 3-hydroxypropoxymethylphosphonate
CID 19993529
2-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propan-2-ol
CID 54110956
2-[[[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-methylphosphoryl]oxymethyl]-2-(hydroxymethyl)propane-1,3-diol
CID 57193019
Bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-oxophosphanium
CID 57306279
5,5-Dimethyl-2-(2-propoxyethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 57957038
Diethyl 3-hydroxy-2,2-dimethylpropyl phosphate
CID 71388723
[5-(Hydroxymethyl)-2-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methanol
CID 85777673
5,5-Dimethyl-2-(1-propoxyethyl)-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 87163824

Frequently Asked Questions

What is the IUPAC name of [5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The IUPAC name of [5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol (CID 87171829) is [5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol.
What is the SMILES notation for [5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The canonical SMILES for [5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol is CCOCC1(CO)COP(C)(=O)OC1.
What is the InChIKey of [5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The InChIKey is NTDPZWJQAYLBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-3-11-5-8(4-9)6-12-14(2,10)13-7-8/h9H,3-7H2,1-2H3.
What are the key properties of [5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
[5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol has a molecular weight of 224.19 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethoxymethyl)-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol is sourced from PubChem (CID 87171829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).