chloro-(3-methoxy-3-oxopropyl)tin

C4H7ClO2Sn — CID 88776688

IUPACchloro-(3-methoxy-3-oxopropyl)tin
SMILESCOC(=O)CC[Sn]Cl
InChIInChI=1S/C4H7O2.ClH.Sn/c1-3-4(5)6-2;;/h1,3H2,2H3;1H;/q;;+1/p-1
InChIKeyLJQYBUPINSZKCB-UHFFFAOYSA-M
MW241.26 g/mol
LogP0.83
Rot. Bonds3

About chloro-(3-methoxy-3-oxopropyl)tin

chloro-(3-methoxy-3-oxopropyl)tin (PubChem CID 88776688) has the molecular formula C4H7ClO2Sn and a molecular weight of 241.26 g/mol. Its IUPAC name is chloro-(3-methoxy-3-oxopropyl)tin.

Molecular Properties

Compound Namechloro-(3-methoxy-3-oxopropyl)tin
PubChem CID88776688
Molecular FormulaC4H7ClO2Sn
Molecular Weight241.26 g/mol
Exact Mass241.92
IUPAC Namechloro-(3-methoxy-3-oxopropyl)tin
SMILESCOC(=O)CC[Sn]Cl
InChIInChI=1S/C4H7O2.ClH.Sn/c1-3-4(5)6-2;;/h1,3H2,2H3;1H;/q;;+1/p-1
InChIKeyLJQYBUPINSZKCB-UHFFFAOYSA-M
XLogP0.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze chloro-(3-methoxy-3-oxopropyl)tin 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

bis(3-methoxy-3-oxopropyl)tin;dihydrochloride
CID 74765132
bis(3-methoxy-3-oxopropyl)tin;bis(2-sulfanylacetic acid)
CID 161196801
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
CID 173441305
CID 173441305
CID 173437842
CID 173437842
methyl 4-chloro(111C)butanoate
CID 11579134
methyl butanoate;tetrahydrochloride
CID 173289582

Frequently Asked Questions

What is the IUPAC name of chloro-(3-methoxy-3-oxopropyl)tin?
The IUPAC name of chloro-(3-methoxy-3-oxopropyl)tin (CID 88776688) is chloro-(3-methoxy-3-oxopropyl)tin.
What is the SMILES notation for chloro-(3-methoxy-3-oxopropyl)tin?
The canonical SMILES for chloro-(3-methoxy-3-oxopropyl)tin is COC(=O)CC[Sn]Cl.
What is the InChIKey of chloro-(3-methoxy-3-oxopropyl)tin?
The InChIKey is LJQYBUPINSZKCB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7O2.ClH.Sn/c1-3-4(5)6-2;;/h1,3H2,2H3;1H;/q;;+1/p-1.
What are the key properties of chloro-(3-methoxy-3-oxopropyl)tin?
chloro-(3-methoxy-3-oxopropyl)tin has a molecular weight of 241.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-methoxy-3-oxopropyl)tin is sourced from PubChem (CID 88776688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).