tripentylstannyl acetate

C17H36O2Sn — CID 16684347

IUPACtripentylstannyl acetate
SMILESCCCCC[Sn](CCCCC)(CCCCC)OC(C)=O
InChIInChI=1S/3C5H11.C2H4O2.Sn/c3*1-3-5-4-2;1-2(3)4;/h3*1,3-5H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyUTECNAFVGJVWLT-UHFFFAOYSA-M
MW391.18 g/mol
LogP6.07
Rot. Bonds13

About tripentylstannyl acetate

tripentylstannyl acetate (PubChem CID 16684347) has the molecular formula C17H36O2Sn and a molecular weight of 391.18 g/mol. Its IUPAC name is tripentylstannyl acetate.

Molecular Properties

Compound Nametripentylstannyl acetate
PubChem CID16684347
Molecular FormulaC17H36O2Sn
Molecular Weight391.18 g/mol
Exact Mass392.17
IUPAC Nametripentylstannyl acetate
SMILESCCCCC[Sn](CCCCC)(CCCCC)OC(C)=O
InChIInChI=1S/3C5H11.C2H4O2.Sn/c3*1-3-5-4-2;1-2(3)4;/h3*1,3-5H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyUTECNAFVGJVWLT-UHFFFAOYSA-M
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.18
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[ethyl(dipentyl)stannyl] acetate
CID 119025994
[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
CID 23071225
triethylstannyl acetate
CID 16682966
trihexylstannyl prop-2-enoate
CID 71366207
tributylstannyl dodecanoate
CID 16683295
tributylstannyl octanoate
CID 16683987
bis(tributylstannyl) (Z)-but-2-enedioate
CID 16682777
1-O-(2-acetyloxyethyl) 4-O-tributylstannyl (Z)-but-2-enedioate
CID 88759898
tri(nonyl)-tri(nonyl)stannyloxystannane
CID 23295113
ethaneperoxoic acid;octane
CID 87879495
[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate
CID 139683682
[butyl(diethyl)stannyl] 2-methylprop-2-enoate
CID 173373063

Frequently Asked Questions

What is the IUPAC name of tripentylstannyl acetate?
The IUPAC name of tripentylstannyl acetate (CID 16684347) is tripentylstannyl acetate.
What is the SMILES notation for tripentylstannyl acetate?
The canonical SMILES for tripentylstannyl acetate is CCCCC[Sn](CCCCC)(CCCCC)OC(C)=O.
What is the InChIKey of tripentylstannyl acetate?
The InChIKey is UTECNAFVGJVWLT-UHFFFAOYSA-M. The full InChI is InChI=1S/3C5H11.C2H4O2.Sn/c3*1-3-5-4-2;1-2(3)4;/h3*1,3-5H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1.
What are the key properties of tripentylstannyl acetate?
tripentylstannyl acetate has a molecular weight of 391.18 g/mol, XLogP of 6.07, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tripentylstannyl acetate is sourced from PubChem (CID 16684347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).