propan-2-yl dimethoxyphosphorylformate

C6H13O5P — CID 512107

IUPACpropan-2-yl dimethoxyphosphorylformate
SMILESCOP(=O)(OC)C(=O)OC(C)C
InChIInChI=1S/C6H13O5P/c1-5(2)11-6(7)12(8,9-3)10-4/h5H,1-4H3
InChIKeyTTYOCFPPDNHPRQ-UHFFFAOYSA-N
MW196.14 g/mol
LogP2.02
Rot. Bonds4

About propan-2-yl dimethoxyphosphorylformate

propan-2-yl dimethoxyphosphorylformate (PubChem CID 512107) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is propan-2-yl dimethoxyphosphorylformate.

Molecular Properties

Compound Namepropan-2-yl dimethoxyphosphorylformate
PubChem CID512107
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Namepropan-2-yl dimethoxyphosphorylformate
SMILESCOP(=O)(OC)C(=O)OC(C)C
InChIInChI=1S/C6H13O5P/c1-5(2)11-6(7)12(8,9-3)10-4/h5H,1-4H3
InChIKeyTTYOCFPPDNHPRQ-UHFFFAOYSA-N
XLogP2.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 52.02
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 propan-2-yl dimethoxyphosphorylformate?
The IUPAC name of propan-2-yl dimethoxyphosphorylformate (CID 512107) is propan-2-yl dimethoxyphosphorylformate.
What is the SMILES notation for propan-2-yl dimethoxyphosphorylformate?
The canonical SMILES for propan-2-yl dimethoxyphosphorylformate is COP(=O)(OC)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl dimethoxyphosphorylformate?
The InChIKey is TTYOCFPPDNHPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c1-5(2)11-6(7)12(8,9-3)10-4/h5H,1-4H3.
What are the key properties of propan-2-yl dimethoxyphosphorylformate?
propan-2-yl dimethoxyphosphorylformate has a molecular weight of 196.14 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl dimethoxyphosphorylformate is sourced from PubChem (CID 512107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).