[ethyl(dipentyl)stannyl] acetate

C14H30O2Sn — CID 119025994

IUPAC[ethyl(dipentyl)stannyl] acetate
SMILESCCCCC[Sn](CC)(CCCCC)OC(C)=O
InChIInChI=1S/2C5H11.C2H4O2.C2H5.Sn/c2*1-3-5-4-2;1-2(3)4;1-2;/h2*1,3-5H2,2H3;1H3,(H,3,4);1H2,2H3;/q;;;;+1/p-1
InChIKeyBJWJIFVMGZDKPG-UHFFFAOYSA-M
MW349.10 g/mol
LogP4.90
Rot. Bonds10

About [ethyl(dipentyl)stannyl] acetate

[ethyl(dipentyl)stannyl] acetate (PubChem CID 119025994) has the molecular formula C14H30O2Sn and a molecular weight of 349.10 g/mol. Its IUPAC name is [ethyl(dipentyl)stannyl] acetate.

Molecular Properties

Compound Name[ethyl(dipentyl)stannyl] acetate
PubChem CID119025994
Molecular FormulaC14H30O2Sn
Molecular Weight349.10 g/mol
Exact Mass350.13
IUPAC Name[ethyl(dipentyl)stannyl] acetate
SMILESCCCCC[Sn](CC)(CCCCC)OC(C)=O
InChIInChI=1S/2C5H11.C2H4O2.C2H5.Sn/c2*1-3-5-4-2;1-2(3)4;1-2;/h2*1,3-5H2,2H3;1H3,(H,3,4);1H2,2H3;/q;;;;+1/p-1
InChIKeyBJWJIFVMGZDKPG-UHFFFAOYSA-M
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.10
LogP ≤ 54.90
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

tripentylstannyl acetate
CID 16684347
triethylstannyl acetate
CID 16682966
[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
CID 23071225
[butyl(diethyl)stannyl] 2-methylprop-2-enoate
CID 173373063
(acetyloxy-ethyl-propylstannyl) acetate
CID 139995904
trihexylstannyl prop-2-enoate
CID 71366207
tributylstannyl octanoate
CID 16683987
tributylstannyl dodecanoate
CID 16683295
tri(nonyl)-tri(nonyl)stannyloxystannane
CID 23295113
ethaneperoxoic acid;octane
CID 87879495
bis(tributylstannyl) (Z)-but-2-enedioate
CID 16682777
[dodecyl-bis(2-methylprop-2-enoyloxy)stannyl] 2-methylprop-2-enoate
CID 139683682

Frequently Asked Questions

What is the IUPAC name of [ethyl(dipentyl)stannyl] acetate?
The IUPAC name of [ethyl(dipentyl)stannyl] acetate (CID 119025994) is [ethyl(dipentyl)stannyl] acetate.
What is the SMILES notation for [ethyl(dipentyl)stannyl] acetate?
The canonical SMILES for [ethyl(dipentyl)stannyl] acetate is CCCCC[Sn](CC)(CCCCC)OC(C)=O.
What is the InChIKey of [ethyl(dipentyl)stannyl] acetate?
The InChIKey is BJWJIFVMGZDKPG-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H11.C2H4O2.C2H5.Sn/c2*1-3-5-4-2;1-2(3)4;1-2;/h2*1,3-5H2,2H3;1H3,(H,3,4);1H2,2H3;/q;;;;+1/p-1.
What are the key properties of [ethyl(dipentyl)stannyl] acetate?
[ethyl(dipentyl)stannyl] acetate has a molecular weight of 349.10 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(dipentyl)stannyl] acetate is sourced from PubChem (CID 119025994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).