[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate

C9H19O6P — CID 129169212

IUPAC[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate
SMILESCCOP(=O)(CC)OCOC(=O)OC(C)C
InChIInChI=1S/C9H19O6P/c1-5-13-16(11,6-2)14-7-12-9(10)15-8(3)4/h8H,5-7H2,1-4H3
InChIKeyAQDCXWRKEMYRJF-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.77
Rot. Bonds7

About [ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate

[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate (PubChem CID 129169212) has the molecular formula C9H19O6P and a molecular weight of 254.22 g/mol. Its IUPAC name is [ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate.

Molecular Properties

Compound Name[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate
PubChem CID129169212
Molecular FormulaC9H19O6P
Molecular Weight254.22 g/mol
Exact Mass254.09
IUPAC Name[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate
SMILESCCOP(=O)(CC)OCOC(=O)OC(C)C
InChIInChI=1S/C9H19O6P/c1-5-13-16(11,6-2)14-7-12-9(10)15-8(3)4/h8H,5-7H2,1-4H3
InChIKeyAQDCXWRKEMYRJF-UHFFFAOYSA-N
XLogP2.77
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate?
The IUPAC name of [ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate (CID 129169212) is [ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate.
What is the SMILES notation for [ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate?
The canonical SMILES for [ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate is CCOP(=O)(CC)OCOC(=O)OC(C)C.
What is the InChIKey of [ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate?
The InChIKey is AQDCXWRKEMYRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O6P/c1-5-13-16(11,6-2)14-7-12-9(10)15-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of [ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate?
[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate has a molecular weight of 254.22 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate is sourced from PubChem (CID 129169212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).