[(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate

C10H19O6P — CID 15568636

IUPAC[(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate
SMILESCCOP(=O)(OCC)OC/C=C\COC(C)=O
InChIInChI=1S/C10H19O6P/c1-4-14-17(12,15-5-2)16-9-7-6-8-13-10(3)11/h6-7H,4-5,8-9H2,1-3H3/b7-6-
InChIKeyDPARLOZJVKMFQK-SREVYHEPSA-N
MW266.23 g/mol
LogP2.30
Rot. Bonds9

About [(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate

[(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate (PubChem CID 15568636) has the molecular formula C10H19O6P and a molecular weight of 266.23 g/mol. Its IUPAC name is [(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate
PubChem CID15568636
Molecular FormulaC10H19O6P
Molecular Weight266.23 g/mol
Exact Mass266.09
IUPAC Name[(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate
SMILESCCOP(=O)(OCC)OC/C=C\COC(C)=O
InChIInChI=1S/C10H19O6P/c1-4-14-17(12,15-5-2)16-9-7-6-8-13-10(3)11/h6-7H,4-5,8-9H2,1-3H3/b7-6-
InChIKeyDPARLOZJVKMFQK-SREVYHEPSA-N
XLogP2.30
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate?
The IUPAC name of [(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate (CID 15568636) is [(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate.
What is the SMILES notation for [(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate?
The canonical SMILES for [(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate is CCOP(=O)(OCC)OC/C=C\COC(C)=O.
What is the InChIKey of [(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate?
The InChIKey is DPARLOZJVKMFQK-SREVYHEPSA-N. The full InChI is InChI=1S/C10H19O6P/c1-4-14-17(12,15-5-2)16-9-7-6-8-13-10(3)11/h6-7H,4-5,8-9H2,1-3H3/b7-6-.
What are the key properties of [(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate?
[(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate has a molecular weight of 266.23 g/mol, XLogP of 2.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate is sourced from PubChem (CID 15568636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).