ethyl (2R)-2-diethoxyphosphorylpentanoate

C11H23O5P — CID 6992997

IUPACethyl (2R)-2-diethoxyphosphorylpentanoate
SMILESCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C11H23O5P/c1-5-9-10(11(12)14-6-2)17(13,15-7-3)16-8-4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyBUPVIVDUPRDDFI-SNVBAGLBSA-N
MW266.27 g/mol
LogP2.98
Rot. Bonds9

About ethyl (2R)-2-diethoxyphosphorylpentanoate

ethyl (2R)-2-diethoxyphosphorylpentanoate (PubChem CID 6992997) has the molecular formula C11H23O5P and a molecular weight of 266.27 g/mol. Its IUPAC name is ethyl (2R)-2-diethoxyphosphorylpentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-diethoxyphosphorylpentanoate
PubChem CID6992997
Molecular FormulaC11H23O5P
Molecular Weight266.27 g/mol
Exact Mass266.13
IUPAC Nameethyl (2R)-2-diethoxyphosphorylpentanoate
SMILESCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C11H23O5P/c1-5-9-10(11(12)14-6-2)17(13,15-7-3)16-8-4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyBUPVIVDUPRDDFI-SNVBAGLBSA-N
XLogP2.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.98
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 2-diethoxyphosphoryltridecanoate
CID 56931385
ethyl (2S)-2-diethoxyphosphorylhexadecanoate
CID 98633198
ethyl 2-diethoxyphosphoryl-5-fluoropentanoate
CID 86678426
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909
ethyl (2S)-2-diethoxyphosphoryl-3-oxobutanoate
CID 98182463
1-O-ethyl 4-O-(4-methylheptan-4-yl) 2-diethoxyphosphorylbutanedioate
CID 164929031
ethyl 5-diethoxyphosphoryl-6-oxoheptanoate
CID 10852295
ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
CID 23420452
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]butanoate
CID 10926473
ethyl (2S,3R)-3-diethoxyphosphoryl-2-hydroxyheptanoate
CID 23238044
ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
CID 90197847
ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate
CID 129408619

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-diethoxyphosphorylpentanoate?
The IUPAC name of ethyl (2R)-2-diethoxyphosphorylpentanoate (CID 6992997) is ethyl (2R)-2-diethoxyphosphorylpentanoate.
What is the SMILES notation for ethyl (2R)-2-diethoxyphosphorylpentanoate?
The canonical SMILES for ethyl (2R)-2-diethoxyphosphorylpentanoate is CCC[C@H](C(=O)OCC)P(=O)(OCC)OCC.
What is the InChIKey of ethyl (2R)-2-diethoxyphosphorylpentanoate?
The InChIKey is BUPVIVDUPRDDFI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23O5P/c1-5-9-10(11(12)14-6-2)17(13,15-7-3)16-8-4/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-diethoxyphosphorylpentanoate?
ethyl (2R)-2-diethoxyphosphorylpentanoate has a molecular weight of 266.27 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-diethoxyphosphorylpentanoate is sourced from PubChem (CID 6992997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).