propyl 2-(4-tributylstannylphenoxy)acetate

C23H40O3Sn — CID 22503207

IUPACpropyl 2-(4-tributylstannylphenoxy)acetate
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(OCC(=O)OCCC)cc1
InChIInChI=1S/C11H13O3.3C4H9.Sn/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10;3*1-3-4-2;/h4-7H,2,8-9H2,1H3;3*1,3-4H2,2H3;
InChIKeyMTWVDXOZXOZPNC-UHFFFAOYSA-N
MW483.28 g/mol
LogP6.07
Rot. Bonds15

About propyl 2-(4-tributylstannylphenoxy)acetate

propyl 2-(4-tributylstannylphenoxy)acetate (PubChem CID 22503207) has the molecular formula C23H40O3Sn and a molecular weight of 483.28 g/mol. Its IUPAC name is propyl 2-(4-tributylstannylphenoxy)acetate.

Molecular Properties

Compound Namepropyl 2-(4-tributylstannylphenoxy)acetate
PubChem CID22503207
Molecular FormulaC23H40O3Sn
Molecular Weight483.28 g/mol
Exact Mass484.20
IUPAC Namepropyl 2-(4-tributylstannylphenoxy)acetate
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(OCC(=O)OCCC)cc1
InChIInChI=1S/C11H13O3.3C4H9.Sn/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10;3*1-3-4-2;/h4-7H,2,8-9H2,1H3;3*1,3-4H2,2H3;
InChIKeyMTWVDXOZXOZPNC-UHFFFAOYSA-N
XLogP6.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.28
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propyl 2-(4-tributylstannylphenoxy)acetate 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

propyl 2-(4-ethylphenoxy)acetate
CID 78907907
nonyl 2-(4-chlorophenoxy)acetate
CID 91742043
propyl 2-[4-[4-(2-oxo-2-propoxyethoxy)phenyl]sulfonylphenoxy]acetate
CID 4149665
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444
propyl 2-(4-formylphenoxy)acetate
CID 17245126
propyl 2-(4-ethenylphenoxy)acetate
CID 23504150
2-(4-butoxyphenoxy)acetamide
CID 22974475
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730
propyl 4-butoxybenzoate
CID 43389566
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
methyl 3-[4-(2-butoxy-2-oxoethoxy)phenyl]propanoate
CID 143068523
2-(butylamino)ethyl 2-(4-methylphenoxy)acetate
CID 82532372

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-tributylstannylphenoxy)acetate?
The IUPAC name of propyl 2-(4-tributylstannylphenoxy)acetate (CID 22503207) is propyl 2-(4-tributylstannylphenoxy)acetate.
What is the SMILES notation for propyl 2-(4-tributylstannylphenoxy)acetate?
The canonical SMILES for propyl 2-(4-tributylstannylphenoxy)acetate is CCCC[Sn](CCCC)(CCCC)c1ccc(OCC(=O)OCCC)cc1.
What is the InChIKey of propyl 2-(4-tributylstannylphenoxy)acetate?
The InChIKey is MTWVDXOZXOZPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O3.3C4H9.Sn/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10;3*1-3-4-2;/h4-7H,2,8-9H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of propyl 2-(4-tributylstannylphenoxy)acetate?
propyl 2-(4-tributylstannylphenoxy)acetate has a molecular weight of 483.28 g/mol, XLogP of 6.07, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-tributylstannylphenoxy)acetate is sourced from PubChem (CID 22503207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).