[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate

C17H37O6P — CID 118645060

IUPAC[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate
SMILESCCOCCOCCC(=O)OP(C)(CC)(CC)CCOCCOC
InChIInChI=1S/C17H37O6P/c1-6-20-13-14-21-10-9-17(18)23-24(5,7-2,8-3)16-15-22-12-11-19-4/h6-16H2,1-5H3
InChIKeyHPSXGUTTWQIYNT-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.77
Rot. Bonds16

About [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate

[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate (PubChem CID 118645060) has the molecular formula C17H37O6P and a molecular weight of 368.45 g/mol. Its IUPAC name is [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate.

Molecular Properties

Compound Name[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate
PubChem CID118645060
Molecular FormulaC17H37O6P
Molecular Weight368.45 g/mol
Exact Mass368.23
IUPAC Name[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate
SMILESCCOCCOCCC(=O)OP(C)(CC)(CC)CCOCCOC
InChIInChI=1S/C17H37O6P/c1-6-20-13-14-21-10-9-17(18)23-24(5,7-2,8-3)16-15-22-12-11-19-4/h6-16H2,1-5H3
InChIKeyHPSXGUTTWQIYNT-UHFFFAOYSA-N
XLogP2.77
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
CID 118645007
[2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645647
[bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
CID 118645705
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
2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645100
bis(2-ethoxyethyl)-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645288
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339

Frequently Asked Questions

What is the IUPAC name of [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate?
The IUPAC name of [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate (CID 118645060) is [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate.
What is the SMILES notation for [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate?
The canonical SMILES for [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate is CCOCCOCCC(=O)OP(C)(CC)(CC)CCOCCOC.
What is the InChIKey of [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate?
The InChIKey is HPSXGUTTWQIYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37O6P/c1-6-20-13-14-21-10-9-17(18)23-24(5,7-2,8-3)16-15-22-12-11-19-4/h6-16H2,1-5H3.
What are the key properties of [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate?
[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate has a molecular weight of 368.45 g/mol, XLogP of 2.77, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate is sourced from PubChem (CID 118645060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).