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

C11H19O6P — CID 10378818

IUPAC[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate
SMILESCCOP(=O)(OCC)O[C@@H]1C=C[C@H](OC(C)=O)C1
InChIInChI=1S/C11H19O6P/c1-4-14-18(13,15-5-2)17-11-7-6-10(8-11)16-9(3)12/h6-7,10-11H,4-5,8H2,1-3H3/t10-,11+/m0/s1
InChIKeyNBVLHEWKGAPOFL-WDEREUQCSA-N
MW278.24 g/mol
LogP2.44
Rot. Bonds7

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

[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate (PubChem CID 10378818) has the molecular formula C11H19O6P and a molecular weight of 278.24 g/mol. Its IUPAC name is [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate
PubChem CID10378818
Molecular FormulaC11H19O6P
Molecular Weight278.24 g/mol
Exact Mass278.09
IUPAC Name[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate
SMILESCCOP(=O)(OCC)O[C@@H]1C=C[C@H](OC(C)=O)C1
InChIInChI=1S/C11H19O6P/c1-4-14-18(13,15-5-2)17-11-7-6-10(8-11)16-9(3)12/h6-7,10-11H,4-5,8H2,1-3H3/t10-,11+/m0/s1
InChIKeyNBVLHEWKGAPOFL-WDEREUQCSA-N
XLogP2.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.44
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 [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate (CID 10378818) is [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate is CCOP(=O)(OCC)O[C@@H]1C=C[C@H](OC(C)=O)C1.
What is the InChIKey of [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate?
The InChIKey is NBVLHEWKGAPOFL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H19O6P/c1-4-14-18(13,15-5-2)17-11-7-6-10(8-11)16-9(3)12/h6-7,10-11H,4-5,8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate has a molecular weight of 278.24 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10378818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).