[ethoxy(hydroxy)phosphoryl] dipropyl phosphate

C8H20O7P2 — CID 89297005

IUPAC[ethoxy(hydroxy)phosphoryl] dipropyl phosphate
SMILESCCCOP(=O)(OCCC)OP(=O)(O)OCC
InChIInChI=1S/C8H20O7P2/c1-4-7-13-17(11,14-8-5-2)15-16(9,10)12-6-3/h4-8H2,1-3H3,(H,9,10)
InChIKeyHNJNWTOKNMBLHY-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.10
Rot. Bonds10

About [ethoxy(hydroxy)phosphoryl] dipropyl phosphate

[ethoxy(hydroxy)phosphoryl] dipropyl phosphate (PubChem CID 89297005) has the molecular formula C8H20O7P2 and a molecular weight of 290.19 g/mol. Its IUPAC name is [ethoxy(hydroxy)phosphoryl] dipropyl phosphate.

Molecular Properties

Compound Name[ethoxy(hydroxy)phosphoryl] dipropyl phosphate
PubChem CID89297005
Molecular FormulaC8H20O7P2
Molecular Weight290.19 g/mol
Exact Mass290.07
IUPAC Name[ethoxy(hydroxy)phosphoryl] dipropyl phosphate
SMILESCCCOP(=O)(OCCC)OP(=O)(O)OCC
InChIInChI=1S/C8H20O7P2/c1-4-7-13-17(11,14-8-5-2)15-16(9,10)12-6-3/h4-8H2,1-3H3,(H,9,10)
InChIKeyHNJNWTOKNMBLHY-UHFFFAOYSA-N
XLogP3.10
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
diethyl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] phosphate
CID 139957080
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
CID 54611578
CID 54611578
diethyl hydrogen phosphate;sulfane
CID 88774651
diethyl hydrogen phosphate;scandium
CID 54607585
diethoxyphosphoryl ethyl [hydroxy(phosphonooxy)phosphoryl] phosphate
CID 139957054
[butoxy(3-hydroxypropoxy)phosphoryl] [hydroxy(3-hydroxypropoxy)phosphoryl] 3-hydroxypropyl phosphate
CID 150987727
diethyl hydrogen phosphate;formonitrile
CID 87389342
heptyl nonyl phosphono phosphate
CID 174822042
azane;ethyl hexadecyl hydrogen phosphate
CID 174382003

Frequently Asked Questions

What is the IUPAC name of [ethoxy(hydroxy)phosphoryl] dipropyl phosphate?
The IUPAC name of [ethoxy(hydroxy)phosphoryl] dipropyl phosphate (CID 89297005) is [ethoxy(hydroxy)phosphoryl] dipropyl phosphate.
What is the SMILES notation for [ethoxy(hydroxy)phosphoryl] dipropyl phosphate?
The canonical SMILES for [ethoxy(hydroxy)phosphoryl] dipropyl phosphate is CCCOP(=O)(OCCC)OP(=O)(O)OCC.
What is the InChIKey of [ethoxy(hydroxy)phosphoryl] dipropyl phosphate?
The InChIKey is HNJNWTOKNMBLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O7P2/c1-4-7-13-17(11,14-8-5-2)15-16(9,10)12-6-3/h4-8H2,1-3H3,(H,9,10).
What are the key properties of [ethoxy(hydroxy)phosphoryl] dipropyl phosphate?
[ethoxy(hydroxy)phosphoryl] dipropyl phosphate has a molecular weight of 290.19 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(hydroxy)phosphoryl] dipropyl phosphate is sourced from PubChem (CID 89297005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).