1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate

C11H24O9P2 — CID 23421899

IUPAC1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate
SMILESCOP(=O)(OC)C(C)(OC(=O)OCC(C)C)P(=O)(OC)OC
InChIInChI=1S/C11H24O9P2/c1-9(2)8-19-10(12)20-11(3,21(13,15-4)16-5)22(14,17-6)18-7/h9H,8H2,1-7H3
InChIKeyXYBDPIVGCODLBC-UHFFFAOYSA-N
MW362.25 g/mol
LogP3.44
Rot. Bonds9

About 1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate

1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate (PubChem CID 23421899) has the molecular formula C11H24O9P2 and a molecular weight of 362.25 g/mol. Its IUPAC name is 1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate
PubChem CID23421899
Molecular FormulaC11H24O9P2
Molecular Weight362.25 g/mol
Exact Mass362.09
IUPAC Name1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate
SMILESCOP(=O)(OC)C(C)(OC(=O)OCC(C)C)P(=O)(OC)OC
InChIInChI=1S/C11H24O9P2/c1-9(2)8-19-10(12)20-11(3,21(13,15-4)16-5)22(14,17-6)18-7/h9H,8H2,1-7H3
InChIKeyXYBDPIVGCODLBC-UHFFFAOYSA-N
XLogP3.44
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate?
The IUPAC name of 1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate (CID 23421899) is 1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate.
What is the SMILES notation for 1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate?
The canonical SMILES for 1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate is COP(=O)(OC)C(C)(OC(=O)OCC(C)C)P(=O)(OC)OC.
What is the InChIKey of 1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate?
The InChIKey is XYBDPIVGCODLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O9P2/c1-9(2)8-19-10(12)20-11(3,21(13,15-4)16-5)22(14,17-6)18-7/h9H,8H2,1-7H3.
What are the key properties of 1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate?
1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate has a molecular weight of 362.25 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate is sourced from PubChem (CID 23421899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).