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

C16H35O6P — CID 118645007

IUPAC[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
SMILESCCP(C)(CC)(CCOCCOC)OC(=O)CCOCCOC
InChIInChI=1S/C16H35O6P/c1-6-23(5,7-2,15-14-21-13-11-19-4)22-16(17)8-9-20-12-10-18-3/h6-15H2,1-5H3
InChIKeyWFLWHUICTQOJCF-UHFFFAOYSA-N
MW354.42 g/mol
LogP2.38
Rot. Bonds15

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

[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate (PubChem CID 118645007) has the molecular formula C16H35O6P and a molecular weight of 354.42 g/mol. Its IUPAC name is [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate.

Molecular Properties

Compound Name[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
PubChem CID118645007
Molecular FormulaC16H35O6P
Molecular Weight354.42 g/mol
Exact Mass354.22
IUPAC Name[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
SMILESCCP(C)(CC)(CCOCCOC)OC(=O)CCOCCOC
InChIInChI=1S/C16H35O6P/c1-6-23(5,7-2,15-14-21-13-11-19-4)22-16(17)8-9-20-12-10-18-3/h6-15H2,1-5H3
InChIKeyWFLWHUICTQOJCF-UHFFFAOYSA-N
XLogP2.38
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.38
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-ethoxyethoxy)propanoate
CID 118645060
[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
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 161208459

Frequently Asked Questions

What is the IUPAC name of [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate?
The IUPAC name of [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate (CID 118645007) is [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate.
What is the SMILES notation for [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate?
The canonical SMILES for [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate is CCP(C)(CC)(CCOCCOC)OC(=O)CCOCCOC.
What is the InChIKey of [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate?
The InChIKey is WFLWHUICTQOJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O6P/c1-6-23(5,7-2,15-14-21-13-11-19-4)22-16(17)8-9-20-12-10-18-3/h6-15H2,1-5H3.
What are the key properties of [diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate?
[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate has a molecular weight of 354.42 g/mol, XLogP of 2.38, 15 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-methoxyethoxy)propanoate is sourced from PubChem (CID 118645007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).