2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium

C25H28O5Sn — CID 22450631

IUPAC2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium
SMILESCOCCOCCOCC(=O)[O-].c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C7H14O5.3C6H5.Sn/c1-10-2-3-11-4-5-12-6-7(8)9;3*1-2-4-6-5-3-1;/h2-6H2,1H3,(H,8,9);3*1-5H;/q;;;;+1/p-1
InChIKeyWBERKXQQZQURFA-UHFFFAOYSA-M
MW527.21 g/mol
LogP0.62
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium

2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium (PubChem CID 22450631) has the molecular formula C25H28O5Sn and a molecular weight of 527.21 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium
PubChem CID22450631
Molecular FormulaC25H28O5Sn
Molecular Weight527.21 g/mol
Exact Mass528.10
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium
SMILESCOCCOCCOCC(=O)[O-].c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C7H14O5.3C6H5.Sn/c1-10-2-3-11-4-5-12-6-7(8)9;3*1-2-4-6-5-3-1;/h2-6H2,1H3,(H,8,9);3*1-5H;/q;;;;+1/p-1
InChIKeyWBERKXQQZQURFA-UHFFFAOYSA-M
XLogP0.62
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene
CID 174264665
2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
CID 43171869
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698
3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 43358425
2-(2-methoxyethoxy)-N-(1-phenylpropyl)acetamide
CID 103612351
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
ethane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;naphthalene
CID 123844641
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(2-methoxyethoxy)acetamide
CID 60548393

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium (CID 22450631) is 2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium is COCCOCCOCC(=O)[O-].c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium?
The InChIKey is WBERKXQQZQURFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O5.3C6H5.Sn/c1-10-2-3-11-4-5-12-6-7(8)9;3*1-2-4-6-5-3-1;/h2-6H2,1H3,(H,8,9);3*1-5H;/q;;;;+1/p-1.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium?
2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium has a molecular weight of 527.21 g/mol, XLogP of 0.62, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium is sourced from PubChem (CID 22450631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).