[2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol

C8H15O7P — CID 70556980

IUPAC[2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC(CO)C(OP2(=O)OCCO2)O1
InChIInChI=1S/C8H15O7P/c1-8(2)13-6(5-9)7(14-8)15-16(10)11-3-4-12-16/h6-7,9H,3-5H2,1-2H3
InChIKeyJGXFMDLCAFCHJJ-UHFFFAOYSA-N
MW254.17 g/mol
LogP0.63
Rot. Bonds3

About [2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol

[2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol (PubChem CID 70556980) has the molecular formula C8H15O7P and a molecular weight of 254.17 g/mol. Its IUPAC name is [2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol
PubChem CID70556980
Molecular FormulaC8H15O7P
Molecular Weight254.17 g/mol
Exact Mass254.06
IUPAC Name[2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC(CO)C(OP2(=O)OCCO2)O1
InChIInChI=1S/C8H15O7P/c1-8(2)13-6(5-9)7(14-8)15-16(10)11-3-4-12-16/h6-7,9H,3-5H2,1-2H3
InChIKeyJGXFMDLCAFCHJJ-UHFFFAOYSA-N
XLogP0.63
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 50.63
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 [2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol (CID 70556980) is [2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol is CC1(C)OC(CO)C(OP2(=O)OCCO2)O1.
What is the InChIKey of [2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol?
The InChIKey is JGXFMDLCAFCHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O7P/c1-8(2)13-6(5-9)7(14-8)15-16(10)11-3-4-12-16/h6-7,9H,3-5H2,1-2H3.
What are the key properties of [2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol?
[2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol has a molecular weight of 254.17 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 70556980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).