[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate

C13H26O8P2 — CID 11428712

IUPAC[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)O[C@@H]1C=C[C@H](OP(=O)(OCC)OCC)C1
InChIInChI=1S/C13H26O8P2/c1-5-16-22(14,17-6-2)20-12-9-10-13(11-12)21-23(15,18-7-3)19-8-4/h9-10,12-13H,5-8,11H2,1-4H3/t12-,13+
InChIKeyMJYNPIUIHKINRK-BETUJISGSA-N
MW372.29 g/mol
LogP4.08
Rot. Bonds12

About [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate

[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate (PubChem CID 11428712) has the molecular formula C13H26O8P2 and a molecular weight of 372.29 g/mol. Its IUPAC name is [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate.

Molecular Properties

Compound Name[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate
PubChem CID11428712
Molecular FormulaC13H26O8P2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC Name[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)O[C@@H]1C=C[C@H](OP(=O)(OCC)OCC)C1
InChIInChI=1S/C13H26O8P2/c1-5-16-22(14,17-6-2)20-12-9-10-13(11-12)21-23(15,18-7-3)19-8-4/h9-10,12-13H,5-8,11H2,1-4H3/t12-,13+
InChIKeyMJYNPIUIHKINRK-BETUJISGSA-N
XLogP4.08
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Cyclohex-2-en-1-yl diethyl phosphate
CID 10421524
[(1R,4S)-4-diethoxyphosphoryloxycyclohex-2-en-1-yl] diethyl phosphate
CID 12141519
diethyl [(E,4R)-oct-2-en-4-yl] phosphate
CID 11032737
diethyl [(Z,2S)-oct-3-en-2-yl] phosphate
CID 46850470
diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate
CID 101240524
diethyl [(1S)-2-iodocyclopent-2-en-1-yl] phosphate
CID 102402371
[(1S)-cyclohex-2-en-1-yl] diethyl phosphate
CID 132515185
(1-Deuteriocyclohex-2-en-1-yl) diethyl phosphate
CID 134860192
diethyl [(E)-non-5-en-4-yl] phosphate
CID 134891116
diethyl [(E)-hept-3-en-2-yl] phosphate
CID 134891133
Butyl-[cyclopent-2-en-1-yloxy(hydroxy)phosphoryl]phosphinic acid
CID 53690860
Cyclopent-2-en-1-yl dihydrogen phosphate
CID 142680597

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate?
The IUPAC name of [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate (CID 11428712) is [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate.
What is the SMILES notation for [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate?
The canonical SMILES for [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate is CCOP(=O)(OCC)O[C@@H]1C=C[C@H](OP(=O)(OCC)OCC)C1.
What is the InChIKey of [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate?
The InChIKey is MJYNPIUIHKINRK-BETUJISGSA-N. The full InChI is InChI=1S/C13H26O8P2/c1-5-16-22(14,17-6-2)20-12-9-10-13(11-12)21-23(15,18-7-3)19-8-4/h9-10,12-13H,5-8,11H2,1-4H3/t12-,13+.
What are the key properties of [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate?
[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate has a molecular weight of 372.29 g/mol, XLogP of 4.08, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate is sourced from PubChem (CID 11428712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).