8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate

C15H24NO5P — CID 71127309

IUPAC8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate
SMILESCOC(=O)CCCC(CCC(=O)OPC)c1noc(C)c1C
InChIInChI=1S/C15H24NO5P/c1-10-11(2)20-16-15(10)12(6-5-7-13(17)19-3)8-9-14(18)21-22-4/h12,22H,5-9H2,1-4H3
InChIKeyJGXZEYIOTKGMKZ-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.27
Rot. Bonds9

About 8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate

8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate (PubChem CID 71127309) has the molecular formula C15H24NO5P and a molecular weight of 329.33 g/mol. Its IUPAC name is 8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate.

Molecular Properties

Compound Name8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate
PubChem CID71127309
Molecular FormulaC15H24NO5P
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC Name8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate
SMILESCOC(=O)CCCC(CCC(=O)OPC)c1noc(C)c1C
InChIInChI=1S/C15H24NO5P/c1-10-11(2)20-16-15(10)12(6-5-7-13(17)19-3)8-9-14(18)21-22-4/h12,22H,5-9H2,1-4H3
InChIKeyJGXZEYIOTKGMKZ-UHFFFAOYSA-N
XLogP3.27
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate?
The IUPAC name of 8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate (CID 71127309) is 8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate.
What is the SMILES notation for 8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate?
The canonical SMILES for 8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate is COC(=O)CCCC(CCC(=O)OPC)c1noc(C)c1C.
What is the InChIKey of 8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate?
The InChIKey is JGXZEYIOTKGMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO5P/c1-10-11(2)20-16-15(10)12(6-5-7-13(17)19-3)8-9-14(18)21-22-4/h12,22H,5-9H2,1-4H3.
What are the key properties of 8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate?
8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate has a molecular weight of 329.33 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-methyl 1-O-methylphosphanyl 4-(4,5-dimethyl-1,2-oxazol-3-yl)octanedioate is sourced from PubChem (CID 71127309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).