bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)

C56H112O8Sn2 — CID 160581451

IUPACbis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC
InChIInChI=1S/2C12H24O2.2C8H16O2.4C4H9.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-2-3-4-5-6-7-8(9)10;4*1-3-4-2;;/h2*2-11H2,1H3,(H,13,14);2*2-7H2,1H3,(H,9,10);4*1,3-4H2,2H3;;/q;;;;;;;;2*+2/p-4
InChIKeyRBVLAYRPYPEBSM-UHFFFAOYSA-J
MW1150.93 g/mol
LogP13.76
Rot. Bonds44

About bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)

bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate) (PubChem CID 160581451) has the molecular formula C56H112O8Sn2 and a molecular weight of 1150.93 g/mol. Its IUPAC name is bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate).

Molecular Properties

Compound Namebis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
PubChem CID160581451
Molecular FormulaC56H112O8Sn2
Molecular Weight1150.93 g/mol
Exact Mass1152.64
IUPAC Namebis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC
InChIInChI=1S/2C12H24O2.2C8H16O2.4C4H9.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-2-3-4-5-6-7-8(9)10;4*1-3-4-2;;/h2*2-11H2,1H3,(H,13,14);2*2-7H2,1H3,(H,9,10);4*1,3-4H2,2H3;;/q;;;;;;;;2*+2/p-4
InChIKeyRBVLAYRPYPEBSM-UHFFFAOYSA-J
XLogP13.76
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds44
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.93
LogP ≤ 513.76
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

bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
CID 159339452
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dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)
CID 161266983
dibutyltin(2+);dioctyltin(2+);bis(dodecanoate);diacetate
CID 162006302
bis(dioctyltin(2+));tetrakis(dodecanoate)
CID 160899989
dioctyltin(2+);bis(dodecanoate);hydroxysilane
CID 161145382
dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)
CID 159466331
dibutyltin(2+);bis(octadec-9-enoate);tin(4+)
CID 159281027
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915

Frequently Asked Questions

What is the IUPAC name of bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)?
The IUPAC name of bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate) (CID 160581451) is bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate).
What is the SMILES notation for bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)?
The canonical SMILES for bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate) is CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.
What is the InChIKey of bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)?
The InChIKey is RBVLAYRPYPEBSM-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H24O2.2C8H16O2.4C4H9.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-2-3-4-5-6-7-8(9)10;4*1-3-4-2;;/h2*2-11H2,1H3,(H,13,14);2*2-7H2,1H3,(H,9,10);4*1,3-4H2,2H3;;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)?
bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate) has a molecular weight of 1150.93 g/mol, XLogP of 13.76, 44 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate) is sourced from PubChem (CID 160581451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).