[bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate

C14H31O6P — CID 118645705

IUPAC[bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
SMILESCOCCOCCC(=O)OP(C)(C)(CCOC)CCOC
InChIInChI=1S/C14H31O6P/c1-16-8-9-19-7-6-14(15)20-21(4,5,12-10-17-2)13-11-18-3/h6-13H2,1-5H3
InChIKeyCIEWKXXHRCTOQN-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.60
Rot. Bonds13

About [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate

[bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate (PubChem CID 118645705) has the molecular formula C14H31O6P and a molecular weight of 326.37 g/mol. Its IUPAC name is [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate.

Molecular Properties

Compound Name[bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
PubChem CID118645705
Molecular FormulaC14H31O6P
Molecular Weight326.37 g/mol
Exact Mass326.19
IUPAC Name[bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
SMILESCOCCOCCC(=O)OP(C)(C)(CCOC)CCOC
InChIInChI=1S/C14H31O6P/c1-16-8-9-19-7-6-14(15)20-21(4,5,12-10-17-2)13-11-18-3/h6-13H2,1-5H3
InChIKeyCIEWKXXHRCTOQN-UHFFFAOYSA-N
XLogP1.60
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.60
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'}

Analyze [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)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

[2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethyl-λ5-phosphanyl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645647
[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate
CID 118645007
[diethyl-[2-(2-methoxyethoxy)ethyl]-methyl-λ5-phosphanyl] 3-(2-ethoxyethoxy)propanoate
CID 118645060
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
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
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
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
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
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide
CID 58019725

Frequently Asked Questions

What is the IUPAC name of [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate?
The IUPAC name of [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate (CID 118645705) is [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate.
What is the SMILES notation for [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate?
The canonical SMILES for [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate is COCCOCCC(=O)OP(C)(C)(CCOC)CCOC.
What is the InChIKey of [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate?
The InChIKey is CIEWKXXHRCTOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O6P/c1-16-8-9-19-7-6-14(15)20-21(4,5,12-10-17-2)13-11-18-3/h6-13H2,1-5H3.
What are the key properties of [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate?
[bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate has a molecular weight of 326.37 g/mol, XLogP of 1.60, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-methoxyethyl)-dimethyl-λ5-phosphanyl] 3-(2-methoxyethoxy)propanoate is sourced from PubChem (CID 118645705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).