1,3-bis(diethylphosphoryloxy)propane

C11H26O4P2 — CID 23081880

IUPAC1,3-bis(diethylphosphoryloxy)propane
SMILESCCP(=O)(CC)OCCCOP(=O)(CC)CC
InChIInChI=1S/C11H26O4P2/c1-5-16(12,6-2)14-10-9-11-15-17(13,7-3)8-4/h5-11H2,1-4H3
InChIKeyJFDQHRMXELTOSO-UHFFFAOYSA-N
MW284.27 g/mol
LogP4.05
Rot. Bonds10

About 1,3-bis(diethylphosphoryloxy)propane

1,3-bis(diethylphosphoryloxy)propane (PubChem CID 23081880) has the molecular formula C11H26O4P2 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1,3-bis(diethylphosphoryloxy)propane.

Molecular Properties

Compound Name1,3-bis(diethylphosphoryloxy)propane
PubChem CID23081880
Molecular FormulaC11H26O4P2
Molecular Weight284.27 g/mol
Exact Mass284.13
IUPAC Name1,3-bis(diethylphosphoryloxy)propane
SMILESCCP(=O)(CC)OCCCOP(=O)(CC)CC
InChIInChI=1S/C11H26O4P2/c1-5-16(12,6-2)14-10-9-11-15-17(13,7-3)8-4/h5-11H2,1-4H3
InChIKeyJFDQHRMXELTOSO-UHFFFAOYSA-N
XLogP4.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[ethyl(octyl)phosphoryl]oxyoctane
CID 174639586
1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane
CID 87380274
1-[2-bromoethyl(ethyl)phosphoryl]oxybutane
CID 71444655
2-diethylphosphoryloxyethyl(triethoxy)silane
CID 141303091
butoxy(ethyl)phosphinic acid
CID 71353007
2-diethylphosphoryloxyacetonitrile
CID 175001568
1-[ethoxy(ethyl)phosphoryl]oxyethane
CID 23416652
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(diethylphosphoryloxy)propane?
The IUPAC name of 1,3-bis(diethylphosphoryloxy)propane (CID 23081880) is 1,3-bis(diethylphosphoryloxy)propane.
What is the SMILES notation for 1,3-bis(diethylphosphoryloxy)propane?
The canonical SMILES for 1,3-bis(diethylphosphoryloxy)propane is CCP(=O)(CC)OCCCOP(=O)(CC)CC.
What is the InChIKey of 1,3-bis(diethylphosphoryloxy)propane?
The InChIKey is JFDQHRMXELTOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O4P2/c1-5-16(12,6-2)14-10-9-11-15-17(13,7-3)8-4/h5-11H2,1-4H3.
What are the key properties of 1,3-bis(diethylphosphoryloxy)propane?
1,3-bis(diethylphosphoryloxy)propane has a molecular weight of 284.27 g/mol, XLogP of 4.05, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(diethylphosphoryloxy)propane is sourced from PubChem (CID 23081880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).