ethyl di(propan-2-yloxy)phosphorylformate

C9H19O5P — CID 4249209

IUPACethyl di(propan-2-yloxy)phosphorylformate
SMILESCCOC(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19O5P/c1-6-12-9(10)15(11,13-7(2)3)14-8(4)5/h7-8H,6H2,1-5H3
InChIKeyBZVBFIOJGRXDON-UHFFFAOYSA-N
MW238.22 g/mol
LogP3.19
Rot. Bonds6

About ethyl di(propan-2-yloxy)phosphorylformate

ethyl di(propan-2-yloxy)phosphorylformate (PubChem CID 4249209) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is ethyl di(propan-2-yloxy)phosphorylformate.

Molecular Properties

Compound Nameethyl di(propan-2-yloxy)phosphorylformate
PubChem CID4249209
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Nameethyl di(propan-2-yloxy)phosphorylformate
SMILESCCOC(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19O5P/c1-6-12-9(10)15(11,13-7(2)3)14-8(4)5/h7-8H,6H2,1-5H3
InChIKeyBZVBFIOJGRXDON-UHFFFAOYSA-N
XLogP3.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 53.19
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 ethyl di(propan-2-yloxy)phosphorylformate?
The IUPAC name of ethyl di(propan-2-yloxy)phosphorylformate (CID 4249209) is ethyl di(propan-2-yloxy)phosphorylformate.
What is the SMILES notation for ethyl di(propan-2-yloxy)phosphorylformate?
The canonical SMILES for ethyl di(propan-2-yloxy)phosphorylformate is CCOC(=O)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of ethyl di(propan-2-yloxy)phosphorylformate?
The InChIKey is BZVBFIOJGRXDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-6-12-9(10)15(11,13-7(2)3)14-8(4)5/h7-8H,6H2,1-5H3.
What are the key properties of ethyl di(propan-2-yloxy)phosphorylformate?
ethyl di(propan-2-yloxy)phosphorylformate has a molecular weight of 238.22 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl di(propan-2-yloxy)phosphorylformate is sourced from PubChem (CID 4249209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).