bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate

C14H27O10P — CID 88550141

IUPACbis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate
SMILESCCOP(=O)(OCC)OC(CC(=O)OCCOC)C(=O)OCCOC
InChIInChI=1S/C14H27O10P/c1-5-22-25(17,23-6-2)24-12(14(16)21-10-8-19-4)11-13(15)20-9-7-18-3/h12H,5-11H2,1-4H3
InChIKeyLVNKYCSSVLJZCU-UHFFFAOYSA-N
MW386.33 g/mol
LogP1.32
Rot. Bonds15

About bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate

bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate (PubChem CID 88550141) has the molecular formula C14H27O10P and a molecular weight of 386.33 g/mol. Its IUPAC name is bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate.

Molecular Properties

Compound Namebis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate
PubChem CID88550141
Molecular FormulaC14H27O10P
Molecular Weight386.33 g/mol
Exact Mass386.13
IUPAC Namebis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate
SMILESCCOP(=O)(OCC)OC(CC(=O)OCCOC)C(=O)OCCOC
InChIInChI=1S/C14H27O10P/c1-5-22-25(17,23-6-2)24-12(14(16)21-10-8-19-4)11-13(15)20-9-7-18-3/h12H,5-11H2,1-4H3
InChIKeyLVNKYCSSVLJZCU-UHFFFAOYSA-N
XLogP1.32
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

bis(prop-2-ynyl) 2-diethoxyphosphoryloxybutanedioate
CID 88550846
bis(cyanomethyl) 2-diethoxyphosphoryloxybutanedioate
CID 88549202
diethyl 2-[ethoxy(ethyl)phosphoryl]oxybutanedioate
CID 88550121
diethyl 2-methoxyethyl phosphate
CID 547489
2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate
CID 118098442
bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate
CID 101278877
bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate
CID 101278936
2-diethoxyphosphoryloxyundecanoic acid
CID 140606222
2-methylpropanamide;triethyl phosphate
CID 155316510
[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
CID 172720622
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate?
The IUPAC name of bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate (CID 88550141) is bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate.
What is the SMILES notation for bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate?
The canonical SMILES for bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate is CCOP(=O)(OCC)OC(CC(=O)OCCOC)C(=O)OCCOC.
What is the InChIKey of bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate?
The InChIKey is LVNKYCSSVLJZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O10P/c1-5-22-25(17,23-6-2)24-12(14(16)21-10-8-19-4)11-13(15)20-9-7-18-3/h12H,5-11H2,1-4H3.
What are the key properties of bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate?
bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate has a molecular weight of 386.33 g/mol, XLogP of 1.32, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate is sourced from PubChem (CID 88550141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).