[2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

C21H45O9P — CID 118645647

IUPAC[2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
SMILESCCOCCP(C)(C)(CCOCCOC)OC(=O)CCOCCOCCOCCOC
InChIInChI=1S/C21H45O9P/c1-6-25-17-19-31(4,5,20-18-29-12-10-24-3)30-21(22)7-8-26-13-14-28-16-15-27-11-9-23-2/h6-20H2,1-5H3
InChIKeyDXCBWWMUHNHRTO-UHFFFAOYSA-N
MW472.56 g/mol
LogP2.04
Rot. Bonds23

About [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

[2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate (PubChem CID 118645647) has the molecular formula C21H45O9P and a molecular weight of 472.56 g/mol. Its IUPAC name is [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name[2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
PubChem CID118645647
Molecular FormulaC21H45O9P
Molecular Weight472.56 g/mol
Exact Mass472.28
IUPAC Name[2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
SMILESCCOCCP(C)(C)(CCOCCOC)OC(=O)CCOCCOCCOCCOC
InChIInChI=1S/C21H45O9P/c1-6-25-17-19-31(4,5,20-18-29-12-10-24-3)30-21(22)7-8-26-13-14-28-16-15-27-11-9-23-2/h6-20H2,1-5H3
InChIKeyDXCBWWMUHNHRTO-UHFFFAOYSA-N
XLogP2.04
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate 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

[bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
CID 118645705
[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate
CID 118645060
[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
CID 118645007
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921

Frequently Asked Questions

What is the IUPAC name of [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The IUPAC name of [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate (CID 118645647) is [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate.
What is the SMILES notation for [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The canonical SMILES for [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate is CCOCCP(C)(C)(CCOCCOC)OC(=O)CCOCCOCCOCCOC.
What is the InChIKey of [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The InChIKey is DXCBWWMUHNHRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45O9P/c1-6-25-17-19-31(4,5,20-18-29-12-10-24-3)30-21(22)7-8-26-13-14-28-16-15-27-11-9-23-2/h6-20H2,1-5H3.
What are the key properties of [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
[2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate has a molecular weight of 472.56 g/mol, XLogP of 2.04, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 118645647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).