[octyl-di(pentanoyloxy)stannyl] pentanoate

C23H44O6Sn — CID 71337905

IUPAC[octyl-di(pentanoyloxy)stannyl] pentanoate
SMILESCCCCCCCC[Sn](OC(=O)CCCC)(OC(=O)CCCC)OC(=O)CCCC
InChIInChI=1S/C8H17.3C5H10O2.Sn/c1-3-5-7-8-6-4-2;3*1-2-3-4-5(6)7;/h1,3-8H2,2H3;3*2-4H2,1H3,(H,6,7);/q;;;;+3/p-3
InChIKeyHJUMTFTZJSYLFM-UHFFFAOYSA-K
MW535.31 g/mol
LogP6.49
Rot. Bonds19

About [octyl-di(pentanoyloxy)stannyl] pentanoate

[octyl-di(pentanoyloxy)stannyl] pentanoate (PubChem CID 71337905) has the molecular formula C23H44O6Sn and a molecular weight of 535.31 g/mol. Its IUPAC name is [octyl-di(pentanoyloxy)stannyl] pentanoate.

Molecular Properties

Compound Name[octyl-di(pentanoyloxy)stannyl] pentanoate
PubChem CID71337905
Molecular FormulaC23H44O6Sn
Molecular Weight535.31 g/mol
Exact Mass536.22
IUPAC Name[octyl-di(pentanoyloxy)stannyl] pentanoate
SMILESCCCCCCCC[Sn](OC(=O)CCCC)(OC(=O)CCCC)OC(=O)CCCC
InChIInChI=1S/C8H17.3C5H10O2.Sn/c1-3-5-7-8-6-4-2;3*1-2-3-4-5(6)7;/h1,3-8H2,2H3;3*2-4H2,1H3,(H,6,7);/q;;;;+3/p-3
InChIKeyHJUMTFTZJSYLFM-UHFFFAOYSA-K
XLogP6.49
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.31
LogP ≤ 56.49
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
[di(butanoyloxy)-dodecylstannyl] butanoate
CID 139676665
[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
[dodecyl-bis[(2-hexylsulfanylacetyl)oxy]stannyl] 2-hexylsulfanylacetate
CID 139892339
tributylstannyl octanoate
CID 16683987
tributylstannyl dodecanoate
CID 16683295
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
CID 140944868
[di(heptanoyloxy)-methylstannyl] heptanoate
CID 139676625
trimethylstannyl octadecanoate
CID 16685791
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate
CID 139683682

Frequently Asked Questions

What is the IUPAC name of [octyl-di(pentanoyloxy)stannyl] pentanoate?
The IUPAC name of [octyl-di(pentanoyloxy)stannyl] pentanoate (CID 71337905) is [octyl-di(pentanoyloxy)stannyl] pentanoate.
What is the SMILES notation for [octyl-di(pentanoyloxy)stannyl] pentanoate?
The canonical SMILES for [octyl-di(pentanoyloxy)stannyl] pentanoate is CCCCCCCC[Sn](OC(=O)CCCC)(OC(=O)CCCC)OC(=O)CCCC.
What is the InChIKey of [octyl-di(pentanoyloxy)stannyl] pentanoate?
The InChIKey is HJUMTFTZJSYLFM-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H17.3C5H10O2.Sn/c1-3-5-7-8-6-4-2;3*1-2-3-4-5(6)7;/h1,3-8H2,2H3;3*2-4H2,1H3,(H,6,7);/q;;;;+3/p-3.
What are the key properties of [octyl-di(pentanoyloxy)stannyl] pentanoate?
[octyl-di(pentanoyloxy)stannyl] pentanoate has a molecular weight of 535.31 g/mol, XLogP of 6.49, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [octyl-di(pentanoyloxy)stannyl] pentanoate is sourced from PubChem (CID 71337905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).