[(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate

C11H21O6P — CID 135042741

IUPAC[(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate
SMILESCCOP(=O)(OCC)OC/C=C\[C@@H](C)OC(C)=O
InChIInChI=1S/C11H21O6P/c1-5-14-18(13,15-6-2)16-9-7-8-10(3)17-11(4)12/h7-8,10H,5-6,9H2,1-4H3/b8-7-/t10-/m1/s1
InChIKeyUIRVJIKKHQPDLG-GQYWMQPJSA-N
MW280.26 g/mol
LogP2.69
Rot. Bonds9

About [(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate

[(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate (PubChem CID 135042741) has the molecular formula C11H21O6P and a molecular weight of 280.26 g/mol. Its IUPAC name is [(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate
PubChem CID135042741
Molecular FormulaC11H21O6P
Molecular Weight280.26 g/mol
Exact Mass280.11
IUPAC Name[(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate
SMILESCCOP(=O)(OCC)OC/C=C\[C@@H](C)OC(C)=O
InChIInChI=1S/C11H21O6P/c1-5-14-18(13,15-6-2)16-9-7-8-10(3)17-11(4)12/h7-8,10H,5-6,9H2,1-4H3/b8-7-/t10-/m1/s1
InChIKeyUIRVJIKKHQPDLG-GQYWMQPJSA-N
XLogP2.69
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.69
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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Related Compounds

[(E,2R,5S)-5-acetyloxyhex-3-en-2-yl] acetate
CID 13186741
[(Z)-4-diethoxyphosphoryloxybut-2-enyl] acetate
CID 15568636
[(E,2S,5S)-5-acetyloxyhex-3-en-2-yl] acetate
CID 21606859
ethyl (E)-3-dimethoxyphosphorylpent-2-enoate
CID 102409892
ethyl (E)-4-diethoxyphosphoryloxyoct-2-enoate
CID 134830859
methyl (E)-4-di(propan-2-yloxy)phosphorylpent-2-enoate
CID 134897872
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
ethyl (E,4S)-4-diethoxyphosphoryloxy-2-fluoropent-2-enoate
CID 71480625
ethyl (Z,4S)-4-diethoxyphosphoryloxy-2-fluoropent-2-enoate
CID 102343708
5-[2-(Dimethoxy-phosphoryl)-acetoxy]-hex-2-enoic acid, methyl ester
CID 5373236
[(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] acetate
CID 11346088
methyl (Z,4S)-4-diethoxyphosphoryloxypent-2-enoate
CID 11459789

Frequently Asked Questions

What is the IUPAC name of [(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate?
The IUPAC name of [(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate (CID 135042741) is [(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate.
What is the SMILES notation for [(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate?
The canonical SMILES for [(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate is CCOP(=O)(OCC)OC/C=C\[C@@H](C)OC(C)=O.
What is the InChIKey of [(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate?
The InChIKey is UIRVJIKKHQPDLG-GQYWMQPJSA-N. The full InChI is InChI=1S/C11H21O6P/c1-5-14-18(13,15-6-2)16-9-7-8-10(3)17-11(4)12/h7-8,10H,5-6,9H2,1-4H3/b8-7-/t10-/m1/s1.
What are the key properties of [(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate?
[(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate has a molecular weight of 280.26 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R)-5-diethoxyphosphoryloxypent-3-en-2-yl] acetate is sourced from PubChem (CID 135042741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).