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

C10H21O6P — CID 88560571

IUPAC[5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
SMILESCCOCC1(CO)COP(=O)(CCOC)OC1
InChIInChI=1S/C10H21O6P/c1-3-14-7-10(6-11)8-15-17(12,16-9-10)5-4-13-2/h11H,3-9H2,1-2H3
InChIKeySTRZZJAOHISTHQ-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.89
Rot. Bonds7

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

[5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol (PubChem CID 88560571) has the molecular formula C10H21O6P and a molecular weight of 268.25 g/mol. Its IUPAC name is [5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol.

Molecular Properties

Compound Name[5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
PubChem CID88560571
Molecular FormulaC10H21O6P
Molecular Weight268.25 g/mol
Exact Mass268.11
IUPAC Name[5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol
SMILESCCOCC1(CO)COP(=O)(CCOC)OC1
InChIInChI=1S/C10H21O6P/c1-3-14-7-10(6-11)8-15-17(12,16-9-10)5-4-13-2/h11H,3-9H2,1-2H3
InChIKeySTRZZJAOHISTHQ-UHFFFAOYSA-N
XLogP0.89
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The IUPAC name of [5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol (CID 88560571) is [5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol.
What is the SMILES notation for [5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The canonical SMILES for [5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol is CCOCC1(CO)COP(=O)(CCOC)OC1.
What is the InChIKey of [5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
The InChIKey is STRZZJAOHISTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O6P/c1-3-14-7-10(6-11)8-15-17(12,16-9-10)5-4-13-2/h11H,3-9H2,1-2H3.
What are the key properties of [5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol?
[5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol has a molecular weight of 268.25 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methanol is sourced from PubChem (CID 88560571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).