bis(3-methoxy-3-oxopropyl)-oxotin

C8H14O5Sn — CID 87238891

IUPACbis(3-methoxy-3-oxopropyl)-oxotin
SMILESCOC(=O)CC[Sn](=O)CCC(=O)OC
InChIInChI=1S/2C4H7O2.O.Sn/c2*1-3-4(5)6-2;;/h2*1,3H2,2H3;;
InChIKeyBIJRLYKWAXUJFF-UHFFFAOYSA-N
MW308.91 g/mol
LogP0.53
Rot. Bonds6

About bis(3-methoxy-3-oxopropyl)-oxotin

bis(3-methoxy-3-oxopropyl)-oxotin (PubChem CID 87238891) has the molecular formula C8H14O5Sn and a molecular weight of 308.91 g/mol. Its IUPAC name is bis(3-methoxy-3-oxopropyl)-oxotin.

Molecular Properties

Compound Namebis(3-methoxy-3-oxopropyl)-oxotin
PubChem CID87238891
Molecular FormulaC8H14O5Sn
Molecular Weight308.91 g/mol
Exact Mass309.99
IUPAC Namebis(3-methoxy-3-oxopropyl)-oxotin
SMILESCOC(=O)CC[Sn](=O)CCC(=O)OC
InChIInChI=1S/2C4H7O2.O.Sn/c2*1-3-4(5)6-2;;/h2*1,3H2,2H3;;
InChIKeyBIJRLYKWAXUJFF-UHFFFAOYSA-N
XLogP0.53
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.91
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 173437842
CID 173437842
CID 173441305
CID 173441305
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl butanoate;tetrahydrochloride
CID 173289582
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methane;methyl 3-hydroxypropanoate
CID 165023436
chromium;methyl butanoate
CID 174781983

Frequently Asked Questions

What is the IUPAC name of bis(3-methoxy-3-oxopropyl)-oxotin?
The IUPAC name of bis(3-methoxy-3-oxopropyl)-oxotin (CID 87238891) is bis(3-methoxy-3-oxopropyl)-oxotin.
What is the SMILES notation for bis(3-methoxy-3-oxopropyl)-oxotin?
The canonical SMILES for bis(3-methoxy-3-oxopropyl)-oxotin is COC(=O)CC[Sn](=O)CCC(=O)OC.
What is the InChIKey of bis(3-methoxy-3-oxopropyl)-oxotin?
The InChIKey is BIJRLYKWAXUJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7O2.O.Sn/c2*1-3-4(5)6-2;;/h2*1,3H2,2H3;;.
What are the key properties of bis(3-methoxy-3-oxopropyl)-oxotin?
bis(3-methoxy-3-oxopropyl)-oxotin has a molecular weight of 308.91 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methoxy-3-oxopropyl)-oxotin is sourced from PubChem (CID 87238891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).