bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+)

C12H22O8Sn+2 — CID 18369693

IUPACbis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+)
SMILESCOC(=O)CCOCCO[Sn+2]OCCOCCC(=O)OC
InChIInChI=1S/2C6H11O4.Sn/c2*1-9-6(8)2-4-10-5-3-7;/h2*2-5H2,1H3;/q2*-1;+4
InChIKeyOADZBLULSGHDIC-UHFFFAOYSA-N
MW413.01 g/mol
LogP-0.29
Rot. Bonds14

About bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+)

bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+) (PubChem CID 18369693) has the molecular formula C12H22O8Sn+2 and a molecular weight of 413.01 g/mol. Its IUPAC name is bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+).

Molecular Properties

Compound Namebis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+)
PubChem CID18369693
Molecular FormulaC12H22O8Sn+2
Molecular Weight413.01 g/mol
Exact Mass414.03
IUPAC Namebis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+)
SMILESCOC(=O)CCOCCO[Sn+2]OCCOCCC(=O)OC
InChIInChI=1S/2C6H11O4.Sn/c2*1-9-6(8)2-4-10-5-3-7;/h2*2-5H2,1H3;/q2*-1;+4
InChIKeyOADZBLULSGHDIC-UHFFFAOYSA-N
XLogP-0.29
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.01
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172894169
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 100910535
methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride
CID 172915982
methyl 3-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]propanoate
CID 139594409
methyl 3-(2-cyclopropylethoxy)propanoate
CID 106199265
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate
CID 10586756
dimethyl hexanedioate;stannane
CID 173290076
CID 88953672
CID 88953672
methyl 3-(2-cyclobutylethoxy)propanoate
CID 106199365
methyl 3-[3-(propan-2-ylamino)propoxy]propanoate
CID 106939689

Frequently Asked Questions

What is the IUPAC name of bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+)?
The IUPAC name of bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+) (CID 18369693) is bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+).
What is the SMILES notation for bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+)?
The canonical SMILES for bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+) is COC(=O)CCOCCO[Sn+2]OCCOCCC(=O)OC.
What is the InChIKey of bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+)?
The InChIKey is OADZBLULSGHDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11O4.Sn/c2*1-9-6(8)2-4-10-5-3-7;/h2*2-5H2,1H3;/q2*-1;+4.
What are the key properties of bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+)?
bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+) has a molecular weight of 413.01 g/mol, XLogP of -0.29, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-methoxy-3-oxopropoxy)ethoxy]tin(2+) is sourced from PubChem (CID 18369693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).