butanoate;hexyltin(3+)

C18H34O6Sn — CID 160671705

IUPACbutanoate;hexyltin(3+)
SMILESCCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].CCCCCC[Sn+3]
InChIInChI=1S/C6H13.3C4H8O2.Sn/c1-3-5-6-4-2;3*1-2-3-4(5)6;/h1,3-6H2,2H3;3*2-3H2,1H3,(H,5,6);/q;;;;+3/p-3
InChIKeyRMZWOUNSQNDHOG-UHFFFAOYSA-K
MW465.18 g/mol
LogP0.76
Rot. Bonds10

About butanoate;hexyltin(3+)

butanoate;hexyltin(3+) (PubChem CID 160671705) has the molecular formula C18H34O6Sn and a molecular weight of 465.18 g/mol. Its IUPAC name is butanoate;hexyltin(3+).

Molecular Properties

Compound Namebutanoate;hexyltin(3+)
PubChem CID160671705
Molecular FormulaC18H34O6Sn
Molecular Weight465.18 g/mol
Exact Mass466.14
IUPAC Namebutanoate;hexyltin(3+)
SMILESCCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].CCCCCC[Sn+3]
InChIInChI=1S/C6H13.3C4H8O2.Sn/c1-3-5-6-4-2;3*1-2-3-4(5)6;/h1,3-6H2,2H3;3*2-3H2,1H3,(H,5,6);/q;;;;+3/p-3
InChIKeyRMZWOUNSQNDHOG-UHFFFAOYSA-K
XLogP0.76
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.18
LogP ≤ 50.76
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

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butanoate;didecyl(dimethyl)azanium
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CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
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dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
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Frequently Asked Questions

What is the IUPAC name of butanoate;hexyltin(3+)?
The IUPAC name of butanoate;hexyltin(3+) (CID 160671705) is butanoate;hexyltin(3+).
What is the SMILES notation for butanoate;hexyltin(3+)?
The canonical SMILES for butanoate;hexyltin(3+) is CCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].CCCCCC[Sn+3].
What is the InChIKey of butanoate;hexyltin(3+)?
The InChIKey is RMZWOUNSQNDHOG-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H13.3C4H8O2.Sn/c1-3-5-6-4-2;3*1-2-3-4(5)6;/h1,3-6H2,2H3;3*2-3H2,1H3,(H,5,6);/q;;;;+3/p-3.
What are the key properties of butanoate;hexyltin(3+)?
butanoate;hexyltin(3+) has a molecular weight of 465.18 g/mol, XLogP of 0.76, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;hexyltin(3+) is sourced from PubChem (CID 160671705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).