bis(3-methoxy-3-oxopropyl)tin;dihydrochloride

C8H16Cl2O4Sn — CID 74765132

IUPACbis(3-methoxy-3-oxopropyl)tin;dihydrochloride
SMILESCOC(=O)CC[Sn]CCC(=O)OC.Cl.Cl
InChIInChI=1S/2C4H7O2.2ClH.Sn/c2*1-3-4(5)6-2;;;/h2*1,3H2,2H3;2*1H;
InChIKeyWIXJUYDUQSNFOW-UHFFFAOYSA-N
MW365.83 g/mol
LogP1.50
Rot. Bonds6

About bis(3-methoxy-3-oxopropyl)tin;dihydrochloride

bis(3-methoxy-3-oxopropyl)tin;dihydrochloride (PubChem CID 74765132) has the molecular formula C8H16Cl2O4Sn and a molecular weight of 365.83 g/mol. Its IUPAC name is bis(3-methoxy-3-oxopropyl)tin;dihydrochloride.

Molecular Properties

Compound Namebis(3-methoxy-3-oxopropyl)tin;dihydrochloride
PubChem CID74765132
Molecular FormulaC8H16Cl2O4Sn
Molecular Weight365.83 g/mol
Exact Mass365.94
IUPAC Namebis(3-methoxy-3-oxopropyl)tin;dihydrochloride
SMILESCOC(=O)CC[Sn]CCC(=O)OC.Cl.Cl
InChIInChI=1S/2C4H7O2.2ClH.Sn/c2*1-3-4(5)6-2;;;/h2*1,3H2,2H3;2*1H;
InChIKeyWIXJUYDUQSNFOW-UHFFFAOYSA-N
XLogP1.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of bis(3-methoxy-3-oxopropyl)tin;dihydrochloride?
The IUPAC name of bis(3-methoxy-3-oxopropyl)tin;dihydrochloride (CID 74765132) is bis(3-methoxy-3-oxopropyl)tin;dihydrochloride.
What is the SMILES notation for bis(3-methoxy-3-oxopropyl)tin;dihydrochloride?
The canonical SMILES for bis(3-methoxy-3-oxopropyl)tin;dihydrochloride is COC(=O)CC[Sn]CCC(=O)OC.Cl.Cl.
What is the InChIKey of bis(3-methoxy-3-oxopropyl)tin;dihydrochloride?
The InChIKey is WIXJUYDUQSNFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7O2.2ClH.Sn/c2*1-3-4(5)6-2;;;/h2*1,3H2,2H3;2*1H;.
What are the key properties of bis(3-methoxy-3-oxopropyl)tin;dihydrochloride?
bis(3-methoxy-3-oxopropyl)tin;dihydrochloride has a molecular weight of 365.83 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methoxy-3-oxopropyl)tin;dihydrochloride is sourced from PubChem (CID 74765132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).