ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate

C17H25O5P — CID 129408619

IUPACethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate
SMILESCCOC(=O)[C@H](C/C=C/c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C17H25O5P/c1-4-20-17(18)16(23(19,21-5-2)22-6-3)14-10-13-15-11-8-7-9-12-15/h7-13,16H,4-6,14H2,1-3H3/b13-10+/t16-/m0/s1
InChIKeyCHVFXHMFSGCDNM-ISBHARSQSA-N
MW340.36 g/mol
LogP4.29
Rot. Bonds10

About ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate

ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate (PubChem CID 129408619) has the molecular formula C17H25O5P and a molecular weight of 340.36 g/mol. Its IUPAC name is ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate
PubChem CID129408619
Molecular FormulaC17H25O5P
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Nameethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate
SMILESCCOC(=O)[C@H](C/C=C/c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C17H25O5P/c1-4-20-17(18)16(23(19,21-5-2)22-6-3)14-10-13-15-11-8-7-9-12-15/h7-13,16H,4-6,14H2,1-3H3/b13-10+/t16-/m0/s1
InChIKeyCHVFXHMFSGCDNM-ISBHARSQSA-N
XLogP4.29
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2-diethoxyphosphoryl-3-oxo-5-phenylpent-4-enoate
CID 10713093
ethyl (E,2R,3S)-2-diethoxyphosphoryl-3-methyl-5-phenylpent-4-enoate
CID 101469617
1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
ethyl 2-cyano-5-phenylpent-4-enoate
CID 72737820
ethyl 2-hydroxy-6-phenylhex-5-enoate
CID 69249152
ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
CID 90197847
ethyl (2R)-2-diethoxyphosphorylpentanoate
CID 6992997
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
methyl (E)-2-diethoxyphosphoryloxy-4-phenylbut-3-enoate
CID 177460867
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091

Frequently Asked Questions

What is the IUPAC name of ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate?
The IUPAC name of ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate (CID 129408619) is ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate.
What is the SMILES notation for ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate?
The canonical SMILES for ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate is CCOC(=O)[C@H](C/C=C/c1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate?
The InChIKey is CHVFXHMFSGCDNM-ISBHARSQSA-N. The full InChI is InChI=1S/C17H25O5P/c1-4-20-17(18)16(23(19,21-5-2)22-6-3)14-10-13-15-11-8-7-9-12-15/h7-13,16H,4-6,14H2,1-3H3/b13-10+/t16-/m0/s1.
What are the key properties of ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate?
ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate has a molecular weight of 340.36 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate is sourced from PubChem (CID 129408619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).