dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+)

C64H102O8Sn2 — CID 173331360

IUPACdibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+)
SMILESCCC1(C(=O)[O-])CCC12CCC21CCC1C.CCC1(C(=O)[O-])CCC12CCC21CCC1C.CCC1(C(=O)[O-])CCC12CCC21CCC1C.CCC1(C(=O)[O-])CCC12CCC21CCC1C.CCCC[Sn+2]CCCC.[Sn+2]
InChIInChI=1S/4C14H22O2.2C4H9.2Sn/c4*1-3-12(11(15)16)6-8-14(12)9-7-13(14)5-4-10(13)2;2*1-3-4-2;;/h4*10H,3-9H2,1-2H3,(H,15,16);2*1,3-4H2,2H3;;/q;;;;;;2*+2/p-4
InChIKeyXLOPATMOMSFYJS-UHFFFAOYSA-J
MW1236.93 g/mol
LogP11.24
Rot. Bonds14

About dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+)

dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+) (PubChem CID 173331360) has the molecular formula C64H102O8Sn2 and a molecular weight of 1236.93 g/mol. Its IUPAC name is dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+).

Molecular Properties

Compound Namedibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+)
PubChem CID173331360
Molecular FormulaC64H102O8Sn2
Molecular Weight1236.93 g/mol
Exact Mass1238.56
IUPAC Namedibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+)
SMILESCCC1(C(=O)[O-])CCC12CCC21CCC1C.CCC1(C(=O)[O-])CCC12CCC21CCC1C.CCC1(C(=O)[O-])CCC12CCC21CCC1C.CCC1(C(=O)[O-])CCC12CCC21CCC1C.CCCC[Sn+2]CCCC.[Sn+2]
InChIInChI=1S/4C14H22O2.2C4H9.2Sn/c4*1-3-12(11(15)16)6-8-14(12)9-7-13(14)5-4-10(13)2;2*1-3-4-2;;/h4*10H,3-9H2,1-2H3,(H,15,16);2*1,3-4H2,2H3;;/q;;;;;;2*+2/p-4
InChIKeyXLOPATMOMSFYJS-UHFFFAOYSA-J
XLogP11.24
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001236.93
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+) with MolForge

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Related Compounds

dibutyltin(2+);bis(1-hydroxy-2-methylcyclopropane-1-carboxylate)
CID 67132880
1,2-diethylcyclobutane-1,2-dicarboxylate
CID 22298452
dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate)
CID 67132431
1,2-diethylcyclohexane-1,2-dicarboxylate
CID 58183367
dibutyltin(2+);bis(3-oxobutanoate)
CID 22571283
dibutyltin(2+);bis(2-sulfanylpropanoate)
CID 53471901
bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
CID 160581451
(Z)-but-2-enedioate;dibutyltin(2+);3,4-dimethylhexane
CID 87234005
dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)
CID 161266983
bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
CID 159339452
dibutyltin(2+);bis(octadecanoate);tin(4+)
CID 159975771
dibutyltin(2+);bis(2-(ethenoxymethyl)-1-hydroxycyclopropane-1-carboxylate)
CID 67132676

Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+)?
The IUPAC name of dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+) (CID 173331360) is dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+).
What is the SMILES notation for dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+)?
The canonical SMILES for dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+) is CCC1(C(=O)[O-])CCC12CCC21CCC1C.CCC1(C(=O)[O-])CCC12CCC21CCC1C.CCC1(C(=O)[O-])CCC12CCC21CCC1C.CCC1(C(=O)[O-])CCC12CCC21CCC1C.CCCC[Sn+2]CCCC.[Sn+2].
What is the InChIKey of dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+)?
The InChIKey is XLOPATMOMSFYJS-UHFFFAOYSA-J. The full InChI is InChI=1S/4C14H22O2.2C4H9.2Sn/c4*1-3-12(11(15)16)6-8-14(12)9-7-13(14)5-4-10(13)2;2*1-3-4-2;;/h4*10H,3-9H2,1-2H3,(H,15,16);2*1,3-4H2,2H3;;/q;;;;;;2*+2/p-4.
What are the key properties of dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+)?
dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+) has a molecular weight of 1236.93 g/mol, XLogP of 11.24, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+) is sourced from PubChem (CID 173331360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).