diphenyltin;bis(5-methoxy-5-oxopentanoic acid)

C24H30O8Sn — CID 11706767

IUPACdiphenyltin;bis(5-methoxy-5-oxopentanoic acid)
SMILESCOC(=O)CCCC(=O)O.COC(=O)CCCC(=O)O.c1ccc([Sn]c2ccccc2)cc1
InChIInChI=1S/2C6H10O4.2C6H5.Sn/c2*1-10-6(9)4-2-3-5(7)8;2*1-2-4-6-5-3-1;/h2*2-4H2,1H3,(H,7,8);2*1-5H;
InChIKeyNOXJVCWOWLWHDG-UHFFFAOYSA-N
MW565.21 g/mol
LogP2.17
Rot. Bonds10

About diphenyltin;bis(5-methoxy-5-oxopentanoic acid)

diphenyltin;bis(5-methoxy-5-oxopentanoic acid) (PubChem CID 11706767) has the molecular formula C24H30O8Sn and a molecular weight of 565.21 g/mol. Its IUPAC name is diphenyltin;bis(5-methoxy-5-oxopentanoic acid).

Molecular Properties

Compound Namediphenyltin;bis(5-methoxy-5-oxopentanoic acid)
PubChem CID11706767
Molecular FormulaC24H30O8Sn
Molecular Weight565.21 g/mol
Exact Mass566.10
IUPAC Namediphenyltin;bis(5-methoxy-5-oxopentanoic acid)
SMILESCOC(=O)CCCC(=O)O.COC(=O)CCCC(=O)O.c1ccc([Sn]c2ccccc2)cc1
InChIInChI=1S/2C6H10O4.2C6H5.Sn/c2*1-10-6(9)4-2-3-5(7)8;2*1-2-4-6-5-3-1;/h2*2-4H2,1H3,(H,7,8);2*1-5H;
InChIKeyNOXJVCWOWLWHDG-UHFFFAOYSA-N
XLogP2.17
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.21
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
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CID 101028218
CID 101028218
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
CID 88504944
methyl 5,5-diphenylpentanoate
CID 10923549
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
methyl 5-hydroxyimino-5-phenylpentanoate
CID 85308138
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
dimethyl pentanedioate;hydrochloride
CID 175168861
52-oxo-52-phenoxydopentacontanoic acid
CID 139682709

Frequently Asked Questions

What is the IUPAC name of diphenyltin;bis(5-methoxy-5-oxopentanoic acid)?
The IUPAC name of diphenyltin;bis(5-methoxy-5-oxopentanoic acid) (CID 11706767) is diphenyltin;bis(5-methoxy-5-oxopentanoic acid).
What is the SMILES notation for diphenyltin;bis(5-methoxy-5-oxopentanoic acid)?
The canonical SMILES for diphenyltin;bis(5-methoxy-5-oxopentanoic acid) is COC(=O)CCCC(=O)O.COC(=O)CCCC(=O)O.c1ccc([Sn]c2ccccc2)cc1.
What is the InChIKey of diphenyltin;bis(5-methoxy-5-oxopentanoic acid)?
The InChIKey is NOXJVCWOWLWHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O4.2C6H5.Sn/c2*1-10-6(9)4-2-3-5(7)8;2*1-2-4-6-5-3-1;/h2*2-4H2,1H3,(H,7,8);2*1-5H;.
What are the key properties of diphenyltin;bis(5-methoxy-5-oxopentanoic acid)?
diphenyltin;bis(5-methoxy-5-oxopentanoic acid) has a molecular weight of 565.21 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyltin;bis(5-methoxy-5-oxopentanoic acid) is sourced from PubChem (CID 11706767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).