diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol

C10H22O7P2 — CID 89136477

IUPACdiethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
SMILESCCOP(=O)(OCC)C(O)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H22O7P2/c1-5-14-18(12,15-6-2)9(11)19(13)16-7-10(3,4)8-17-19/h9,11H,5-8H2,1-4H3
InChIKeyOHWBOWXDSIDDJZ-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.79
Rot. Bonds6

About diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol

diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol (PubChem CID 89136477) has the molecular formula C10H22O7P2 and a molecular weight of 316.23 g/mol. Its IUPAC name is diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol.

Molecular Properties

Compound Namediethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
PubChem CID89136477
Molecular FormulaC10H22O7P2
Molecular Weight316.23 g/mol
Exact Mass316.08
IUPAC Namediethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
SMILESCCOP(=O)(OCC)C(O)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H22O7P2/c1-5-14-18(12,15-6-2)9(11)19(13)16-7-10(3,4)8-17-19/h9,11H,5-8H2,1-4H3
InChIKeyOHWBOWXDSIDDJZ-UHFFFAOYSA-N
XLogP2.79
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol?
The IUPAC name of diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol (CID 89136477) is diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol.
What is the SMILES notation for diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol?
The canonical SMILES for diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol is CCOP(=O)(OCC)C(O)P1(=O)OCC(C)(C)CO1.
What is the InChIKey of diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol?
The InChIKey is OHWBOWXDSIDDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7P2/c1-5-14-18(12,15-6-2)9(11)19(13)16-7-10(3,4)8-17-19/h9,11H,5-8H2,1-4H3.
What are the key properties of diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol?
diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol has a molecular weight of 316.23 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol is sourced from PubChem (CID 89136477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).