methyl di(propan-2-yloxy)phosphorylformate

C8H17O5P — CID 512111

IUPACmethyl di(propan-2-yloxy)phosphorylformate
SMILESCOC(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C8H17O5P/c1-6(2)12-14(10,8(9)11-5)13-7(3)4/h6-7H,1-5H3
InChIKeyCXUALEMNOCCUTK-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.80
Rot. Bonds5

About methyl di(propan-2-yloxy)phosphorylformate

methyl di(propan-2-yloxy)phosphorylformate (PubChem CID 512111) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is methyl di(propan-2-yloxy)phosphorylformate.

Molecular Properties

Compound Namemethyl di(propan-2-yloxy)phosphorylformate
PubChem CID512111
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Namemethyl di(propan-2-yloxy)phosphorylformate
SMILESCOC(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C8H17O5P/c1-6(2)12-14(10,8(9)11-5)13-7(3)4/h6-7H,1-5H3
InChIKeyCXUALEMNOCCUTK-UHFFFAOYSA-N
XLogP2.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl di(propan-2-yloxy)phosphorylformate?
The IUPAC name of methyl di(propan-2-yloxy)phosphorylformate (CID 512111) is methyl di(propan-2-yloxy)phosphorylformate.
What is the SMILES notation for methyl di(propan-2-yloxy)phosphorylformate?
The canonical SMILES for methyl di(propan-2-yloxy)phosphorylformate is COC(=O)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of methyl di(propan-2-yloxy)phosphorylformate?
The InChIKey is CXUALEMNOCCUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-6(2)12-14(10,8(9)11-5)13-7(3)4/h6-7H,1-5H3.
What are the key properties of methyl di(propan-2-yloxy)phosphorylformate?
methyl di(propan-2-yloxy)phosphorylformate has a molecular weight of 224.19 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl di(propan-2-yloxy)phosphorylformate is sourced from PubChem (CID 512111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).