2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol

C8H16O5P+ — CID 163771916

IUPAC2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol
SMILESCC1(C)COP(=O)(CO[CH+]CO)OC1
InChIInChI=1S/C8H16O5P/c1-8(2)5-12-14(10,13-6-8)7-11-4-3-9/h4,9H,3,5-7H2,1-2H3/q+1
InChIKeyMHDUAZRFJGBNJN-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.38
Rot. Bonds4

About 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol

2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol (PubChem CID 163771916) has the molecular formula C8H16O5P+ and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol
PubChem CID163771916
Molecular FormulaC8H16O5P+
Molecular Weight223.18 g/mol
Exact Mass223.07
IUPAC Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol
SMILESCC1(C)COP(=O)(CO[CH+]CO)OC1
InChIInChI=1S/C8H16O5P/c1-8(2)5-12-14(10,13-6-8)7-11-4-3-9/h4,9H,3,5-7H2,1-2H3/q+1
InChIKeyMHDUAZRFJGBNJN-UHFFFAOYSA-N
XLogP1.38
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2-(2-methoxyethoxy)-5,5-dimethyl-, 2-oxide
CID 547076
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propan-1-ol
CID 11241567
1-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propan-2-ol
CID 11368084
2-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butoxy]ethanol
CID 53694405
2-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propoxy]ethanol
CID 53877344
1-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butoxy]propan-2-ol
CID 53948029
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]ethanol
CID 54233721
3-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butan-2-ol
CID 54558492
2-[2,2-Dimethylpropoxy(methyl)phosphoryl]oxyethanol
CID 87119910
[5-(Ethoxymethyl)-2-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methanol
CID 87171829
[5-(Ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methanol
CID 88560571
2-[2-[Tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol
CID 88576728

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol?
The IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol (CID 163771916) is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol?
The canonical SMILES for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol is CC1(C)COP(=O)(CO[CH+]CO)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol?
The InChIKey is MHDUAZRFJGBNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5P/c1-8(2)5-12-14(10,13-6-8)7-11-4-3-9/h4,9H,3,5-7H2,1-2H3/q+1.
What are the key properties of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol?
2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol has a molecular weight of 223.18 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol is sourced from PubChem (CID 163771916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).