ethyl 5-diethoxyphosphorylpentanoate

C11H23O5P — CID 2773707

IUPACethyl 5-diethoxyphosphorylpentanoate
SMILESCCOC(=O)CCCCP(=O)(OCC)OCC
InChIInChI=1S/C11H23O5P/c1-4-14-11(12)9-7-8-10-17(13,15-5-2)16-6-3/h4-10H2,1-3H3
InChIKeyBUDJSZHTNJUBIM-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.99
Rot. Bonds10

About ethyl 5-diethoxyphosphorylpentanoate

ethyl 5-diethoxyphosphorylpentanoate (PubChem CID 2773707) has the molecular formula C11H23O5P and a molecular weight of 266.27 g/mol. Its IUPAC name is ethyl 5-diethoxyphosphorylpentanoate.

Molecular Properties

Compound Nameethyl 5-diethoxyphosphorylpentanoate
PubChem CID2773707
Molecular FormulaC11H23O5P
Molecular Weight266.27 g/mol
Exact Mass266.13
IUPAC Nameethyl 5-diethoxyphosphorylpentanoate
SMILESCCOC(=O)CCCCP(=O)(OCC)OCC
InChIInChI=1S/C11H23O5P/c1-4-14-11(12)9-7-8-10-17(13,15-5-2)16-6-3/h4-10H2,1-3H3
InChIKeyBUDJSZHTNJUBIM-UHFFFAOYSA-N
XLogP2.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 5-diethoxyphosphorylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 4-diethoxyphosphorylbutanoate
CID 90341403
ethyl 3-(3-diethoxyphosphorylpropanoyloxy)propanoate
CID 131843980
diethyl hexanedioate
CID 160747628
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
diethyl icosanedioate
CID 5058538
4-diethoxyphosphorylbutanehydrazide
CID 156632548
ethyl 2-diethoxyphosphorylacetate
CID 10911236
sodium;diethyl decanedioate;hydride
CID 173076435
6-diethoxyphosphorylhexan-3-one
CID 91326618
ethyl 2-(2-diethoxyphosphorylethylamino)acetate
CID 112742494
ethyl 3-didodecoxyphosphorylpropanoate
CID 87376118

Frequently Asked Questions

What is the IUPAC name of ethyl 5-diethoxyphosphorylpentanoate?
The IUPAC name of ethyl 5-diethoxyphosphorylpentanoate (CID 2773707) is ethyl 5-diethoxyphosphorylpentanoate.
What is the SMILES notation for ethyl 5-diethoxyphosphorylpentanoate?
The canonical SMILES for ethyl 5-diethoxyphosphorylpentanoate is CCOC(=O)CCCCP(=O)(OCC)OCC.
What is the InChIKey of ethyl 5-diethoxyphosphorylpentanoate?
The InChIKey is BUDJSZHTNJUBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O5P/c1-4-14-11(12)9-7-8-10-17(13,15-5-2)16-6-3/h4-10H2,1-3H3.
What are the key properties of ethyl 5-diethoxyphosphorylpentanoate?
ethyl 5-diethoxyphosphorylpentanoate has a molecular weight of 266.27 g/mol, XLogP of 2.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-diethoxyphosphorylpentanoate is sourced from PubChem (CID 2773707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).