bis(3-ethoxy-3-oxopropyl)tin

C10H18O4Sn — CID 88668287

IUPACbis(3-ethoxy-3-oxopropyl)tin
SMILESCCOC(=O)CC[Sn]CCC(=O)OCC
InChIInChI=1S/2C5H9O2.Sn/c2*1-3-5(6)7-4-2;/h2*1,3-4H2,2H3;
InChIKeyMMGKOVRSCYWRDW-UHFFFAOYSA-N
MW320.96 g/mol
LogP1.43
Rot. Bonds8

About bis(3-ethoxy-3-oxopropyl)tin

bis(3-ethoxy-3-oxopropyl)tin (PubChem CID 88668287) has the molecular formula C10H18O4Sn and a molecular weight of 320.96 g/mol. Its IUPAC name is bis(3-ethoxy-3-oxopropyl)tin.

Molecular Properties

Compound Namebis(3-ethoxy-3-oxopropyl)tin
PubChem CID88668287
Molecular FormulaC10H18O4Sn
Molecular Weight320.96 g/mol
Exact Mass322.02
IUPAC Namebis(3-ethoxy-3-oxopropyl)tin
SMILESCCOC(=O)CC[Sn]CCC(=O)OCC
InChIInChI=1S/2C5H9O2.Sn/c2*1-3-5(6)7-4-2;/h2*1,3-4H2,2H3;
InChIKeyMMGKOVRSCYWRDW-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.96
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibutyltin;bis(ethyl hexanoate)
CID 87061264
ethyl (1,2-13C2)butanoate
CID 157463359
diethyl hexanedioate
CID 160747628
ethyl butanoate
CID 7762
ethyl 3-hydroxypropanoate
CID 160663371
diethyl icosanedioate
CID 5058538
ethyl 3-sulfanylpropanoate
CID 21625
CID 135037216
CID 135037216
ethyl 3-iodopropanoate
CID 10911297
CID 88852626
CID 88852626
ethyl 3-silylpropanoate
CID 123980878
4-O-ethyl 1-O-methyl butanedioate
CID 522068

Frequently Asked Questions

What is the IUPAC name of bis(3-ethoxy-3-oxopropyl)tin?
The IUPAC name of bis(3-ethoxy-3-oxopropyl)tin (CID 88668287) is bis(3-ethoxy-3-oxopropyl)tin.
What is the SMILES notation for bis(3-ethoxy-3-oxopropyl)tin?
The canonical SMILES for bis(3-ethoxy-3-oxopropyl)tin is CCOC(=O)CC[Sn]CCC(=O)OCC.
What is the InChIKey of bis(3-ethoxy-3-oxopropyl)tin?
The InChIKey is MMGKOVRSCYWRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9O2.Sn/c2*1-3-5(6)7-4-2;/h2*1,3-4H2,2H3;.
What are the key properties of bis(3-ethoxy-3-oxopropyl)tin?
bis(3-ethoxy-3-oxopropyl)tin has a molecular weight of 320.96 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethoxy-3-oxopropyl)tin is sourced from PubChem (CID 88668287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).