[di(butanoyloxy)-dodecylstannyl] butanoate

C24H46O6Sn — CID 139676665

IUPAC[di(butanoyloxy)-dodecylstannyl] butanoate
SMILESCCCCCCCCCCCC[Sn](OC(=O)CCC)(OC(=O)CCC)OC(=O)CCC
InChIInChI=1S/C12H25.3C4H8O2.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-2-3-4(5)6;/h1,3-12H2,2H3;3*2-3H2,1H3,(H,5,6);/q;;;;+3/p-3
InChIKeyHZLMMPXUMNDNPF-UHFFFAOYSA-K
MW549.34 g/mol
LogP6.88
Rot. Bonds20

About [di(butanoyloxy)-dodecylstannyl] butanoate

[di(butanoyloxy)-dodecylstannyl] butanoate (PubChem CID 139676665) has the molecular formula C24H46O6Sn and a molecular weight of 549.34 g/mol. Its IUPAC name is [di(butanoyloxy)-dodecylstannyl] butanoate.

Molecular Properties

Compound Name[di(butanoyloxy)-dodecylstannyl] butanoate
PubChem CID139676665
Molecular FormulaC24H46O6Sn
Molecular Weight549.34 g/mol
Exact Mass550.23
IUPAC Name[di(butanoyloxy)-dodecylstannyl] butanoate
SMILESCCCCCCCCCCCC[Sn](OC(=O)CCC)(OC(=O)CCC)OC(=O)CCC
InChIInChI=1S/C12H25.3C4H8O2.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-2-3-4(5)6;/h1,3-12H2,2H3;3*2-3H2,1H3,(H,5,6);/q;;;;+3/p-3
InChIKeyHZLMMPXUMNDNPF-UHFFFAOYSA-K
XLogP6.88
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.34
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[di(dodecanoyloxy)-hexylstannyl] dodecanoate
CID 141110881
[octyl-di(pentanoyloxy)stannyl] pentanoate
CID 71337905
[[[butanoyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] butanoate
CID 23071239
[dodecyl-bis[(2-hexylsulfanylacetyl)oxy]stannyl] 2-hexylsulfanylacetate
CID 139892339
[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
[butanoyloxy(dibutyl)stannyl] butanoate
CID 16684199
[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate
CID 139683682
[butyl-bis[(2-octylsulfanylacetyl)oxy]stannyl] 2-octylsulfanylacetate
CID 139668459
tributylstannyl dodecanoate
CID 16683295
tributylstannyl octanoate
CID 16683987
[didodecyl(3-sulfanylpropanoyloxy)stannyl] 3-sulfanylpropanoate
CID 139668477

Frequently Asked Questions

What is the IUPAC name of [di(butanoyloxy)-dodecylstannyl] butanoate?
The IUPAC name of [di(butanoyloxy)-dodecylstannyl] butanoate (CID 139676665) is [di(butanoyloxy)-dodecylstannyl] butanoate.
What is the SMILES notation for [di(butanoyloxy)-dodecylstannyl] butanoate?
The canonical SMILES for [di(butanoyloxy)-dodecylstannyl] butanoate is CCCCCCCCCCCC[Sn](OC(=O)CCC)(OC(=O)CCC)OC(=O)CCC.
What is the InChIKey of [di(butanoyloxy)-dodecylstannyl] butanoate?
The InChIKey is HZLMMPXUMNDNPF-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H25.3C4H8O2.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-2-3-4(5)6;/h1,3-12H2,2H3;3*2-3H2,1H3,(H,5,6);/q;;;;+3/p-3.
What are the key properties of [di(butanoyloxy)-dodecylstannyl] butanoate?
[di(butanoyloxy)-dodecylstannyl] butanoate has a molecular weight of 549.34 g/mol, XLogP of 6.88, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [di(butanoyloxy)-dodecylstannyl] butanoate is sourced from PubChem (CID 139676665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).