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

C9H19O5P — CID 123925120

IUPAC3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol
SMILESCC1(C)COP(=O)(COCCCO)OC1
InChIInChI=1S/C9H19O5P/c1-9(2)6-13-15(11,14-7-9)8-12-5-3-4-10/h10H,3-8H2,1-2H3
InChIKeyOHKVCXKVGHSBPE-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.61
Rot. Bonds5

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

3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol (PubChem CID 123925120) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol
PubChem CID123925120
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol
SMILESCC1(C)COP(=O)(COCCCO)OC1
InChIInChI=1S/C9H19O5P/c1-9(2)6-13-15(11,14-7-9)8-12-5-3-4-10/h10H,3-8H2,1-2H3
InChIKeyOHKVCXKVGHSBPE-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol with MolForge

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Related Compounds

2-Hydroxy-5,5-bis(hydroxymethyl)-1,3,2-dioxaphosphinane 2-oxide
CID 130124961
1-Diethoxyphosphoryl-2,2-dimethylpropan-1-ol
CID 12688725
(2-Methoxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
CID 12795632
(1R)-1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol
CID 101931442
2-(1-Hydroxyethyl)-5,5-dimethyl-1,3,2-dioxaphosphinane-2-one
CID 129846496
(2-Hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
CID 12795628
(2-Methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
CID 18335532
5,5-Dimethyl-2-(hydroxymethyl)-2-oxo-1,3,2-dioxaphosphorinan
CID 18981617
Diethyl 3-hydroxypropoxymethylphosphonate
CID 19993529
(3-Hydroxy-2,2-dimethylpropoxy)-methylphosphinic acid
CID 22733644
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

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol?
The IUPAC name of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol (CID 123925120) is 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol.
What is the SMILES notation for 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol?
The canonical SMILES for 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol is CC1(C)COP(=O)(COCCCO)OC1.
What is the InChIKey of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol?
The InChIKey is OHKVCXKVGHSBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-9(2)6-13-15(11,14-7-9)8-12-5-3-4-10/h10H,3-8H2,1-2H3.
What are the key properties of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol?
3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol has a molecular weight of 238.22 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]propan-1-ol is sourced from PubChem (CID 123925120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).