5-diethoxyphosphoryloxypentyl diethyl phosphate

C13H30O8P2 — CID 23412798

IUPAC5-diethoxyphosphoryloxypentyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCCCCCOP(=O)(OCC)OCC
InChIInChI=1S/C13H30O8P2/c1-5-16-22(14,17-6-2)20-12-10-9-11-13-21-23(15,18-7-3)19-8-4/h5-13H2,1-4H3
InChIKeyVLUWCFBNVXVLNU-UHFFFAOYSA-N
MW376.32 g/mol
LogP4.55
Rot. Bonds16

About 5-diethoxyphosphoryloxypentyl diethyl phosphate

5-diethoxyphosphoryloxypentyl diethyl phosphate (PubChem CID 23412798) has the molecular formula C13H30O8P2 and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-diethoxyphosphoryloxypentyl diethyl phosphate.

Molecular Properties

Compound Name5-diethoxyphosphoryloxypentyl diethyl phosphate
PubChem CID23412798
Molecular FormulaC13H30O8P2
Molecular Weight376.32 g/mol
Exact Mass376.14
IUPAC Name5-diethoxyphosphoryloxypentyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCCCCCOP(=O)(OCC)OCC
InChIInChI=1S/C13H30O8P2/c1-5-16-22(14,17-6-2)20-12-10-9-11-13-21-23(15,18-7-3)19-8-4/h5-13H2,1-4H3
InChIKeyVLUWCFBNVXVLNU-UHFFFAOYSA-N
XLogP4.55
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

azane;didodecyl ethyl phosphate
CID 170436215
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
ethyl iodomethyl octyl phosphate
CID 88723495
CID 177007311
CID 177007311
diheptyl propyl phosphate
CID 22497721
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
alumane;trioctyl phosphate
CID 175071420
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
ethyl fluoro octyl phosphate
CID 141337473

Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryloxypentyl diethyl phosphate?
The IUPAC name of 5-diethoxyphosphoryloxypentyl diethyl phosphate (CID 23412798) is 5-diethoxyphosphoryloxypentyl diethyl phosphate.
What is the SMILES notation for 5-diethoxyphosphoryloxypentyl diethyl phosphate?
The canonical SMILES for 5-diethoxyphosphoryloxypentyl diethyl phosphate is CCOP(=O)(OCC)OCCCCCOP(=O)(OCC)OCC.
What is the InChIKey of 5-diethoxyphosphoryloxypentyl diethyl phosphate?
The InChIKey is VLUWCFBNVXVLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O8P2/c1-5-16-22(14,17-6-2)20-12-10-9-11-13-21-23(15,18-7-3)19-8-4/h5-13H2,1-4H3.
What are the key properties of 5-diethoxyphosphoryloxypentyl diethyl phosphate?
5-diethoxyphosphoryloxypentyl diethyl phosphate has a molecular weight of 376.32 g/mol, XLogP of 4.55, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryloxypentyl diethyl phosphate is sourced from PubChem (CID 23412798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).