2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane

C10H24O5P2 — CID 134976793

IUPAC2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
SMILESCCP(=O)(OC(C)C)OP(=O)(CC)OC(C)C
InChIInChI=1S/C10H24O5P2/c1-7-16(11,13-9(3)4)15-17(12,8-2)14-10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyBVVLAPXFPMIUOF-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.28
Rot. Bonds8

About 2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane

2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane (PubChem CID 134976793) has the molecular formula C10H24O5P2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
PubChem CID134976793
Molecular FormulaC10H24O5P2
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
SMILESCCP(=O)(OC(C)C)OP(=O)(CC)OC(C)C
InChIInChI=1S/C10H24O5P2/c1-7-16(11,13-9(3)4)15-17(12,8-2)14-10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyBVVLAPXFPMIUOF-UHFFFAOYSA-N
XLogP4.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.28
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 2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane?
The IUPAC name of 2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane (CID 134976793) is 2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane?
The canonical SMILES for 2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane is CCP(=O)(OC(C)C)OP(=O)(CC)OC(C)C.
What is the InChIKey of 2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane?
The InChIKey is BVVLAPXFPMIUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O5P2/c1-7-16(11,13-9(3)4)15-17(12,8-2)14-10(5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane?
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane has a molecular weight of 286.25 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane is sourced from PubChem (CID 134976793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).