butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate)

C24H50O9S4Sn2 — CID 173463090

IUPACbutyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate)
SMILESCCCC[Sn]O[Sn]CCCC.COC(=O)CCS.COC(=O)CCS.COC(=O)CCS.COC(=O)CCS
InChIInChI=1S/4C4H8O2S.2C4H9.O.2Sn/c4*1-6-4(5)2-3-7;2*1-3-4-2;;;/h4*7H,2-3H2,1H3;2*1,3-4H2,2H3;;;
InChIKeySMTIADIRLPJQCR-UHFFFAOYSA-N
MW848.34 g/mol
LogP4.60
Rot. Bonds16

About butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate)

butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate) (PubChem CID 173463090) has the molecular formula C24H50O9S4Sn2 and a molecular weight of 848.34 g/mol. Its IUPAC name is butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate).

Molecular Properties

Compound Namebutyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate)
PubChem CID173463090
Molecular FormulaC24H50O9S4Sn2
Molecular Weight848.34 g/mol
Exact Mass850.04
IUPAC Namebutyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate)
SMILESCCCC[Sn]O[Sn]CCCC.COC(=O)CCS.COC(=O)CCS.COC(=O)CCS.COC(=O)CCS
InChIInChI=1S/4C4H8O2S.2C4H9.O.2Sn/c4*1-6-4(5)2-3-7;2*1-3-4-2;;;/h4*7H,2-3H2,1H3;2*1,3-4H2,2H3;;;
InChIKeySMTIADIRLPJQCR-UHFFFAOYSA-N
XLogP4.60
TPSA114.43 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.34
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl 6-oxoundecanoate
CID 12920411
methyl heptadecanoate
CID 15609
hydrazine;methyl pentanoate
CID 88709772
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
ethane;methyl hexanoate
CID 159004993
methyl octadecanoate;methyl octanoate
CID 157178883
methyl 6-oxoicosanoate
CID 57100590
methyl 8-oxotridecanoate
CID 14454473
methyl 7-oxoicosanoate
CID 86186885
methyl nonanoate;hydrochloride
CID 141151355
methyl heptanoate;dihydrochloride
CID 140971064

Frequently Asked Questions

What is the IUPAC name of butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate)?
The IUPAC name of butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate) (CID 173463090) is butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate).
What is the SMILES notation for butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate)?
The canonical SMILES for butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate) is CCCC[Sn]O[Sn]CCCC.COC(=O)CCS.COC(=O)CCS.COC(=O)CCS.COC(=O)CCS.
What is the InChIKey of butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate)?
The InChIKey is SMTIADIRLPJQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H8O2S.2C4H9.O.2Sn/c4*1-6-4(5)2-3-7;2*1-3-4-2;;;/h4*7H,2-3H2,1H3;2*1,3-4H2,2H3;;;.
What are the key properties of butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate)?
butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate) has a molecular weight of 848.34 g/mol, XLogP of 4.60, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate) is sourced from PubChem (CID 173463090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).