dodecanoate;tin(2+);acetate

C14H26O4Sn — CID 157367656

IUPACdodecanoate;tin(2+);acetate
SMILESCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Sn+2]
InChIInChI=1S/C12H24O2.C2H4O2.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2(3)4;/h2-11H2,1H3,(H,13,14);1H3,(H,3,4);/q;;+2/p-2
InChIKeyBJJMQJWQXQQKKF-UHFFFAOYSA-L
MW377.07 g/mol
LogP1.03
Rot. Bonds10

About dodecanoate;tin(2+);acetate

dodecanoate;tin(2+);acetate (PubChem CID 157367656) has the molecular formula C14H26O4Sn and a molecular weight of 377.07 g/mol. Its IUPAC name is dodecanoate;tin(2+);acetate.

Molecular Properties

Compound Namedodecanoate;tin(2+);acetate
PubChem CID157367656
Molecular FormulaC14H26O4Sn
Molecular Weight377.07 g/mol
Exact Mass378.09
IUPAC Namedodecanoate;tin(2+);acetate
SMILESCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Sn+2]
InChIInChI=1S/C12H24O2.C2H4O2.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2(3)4;/h2-11H2,1H3,(H,13,14);1H3,(H,3,4);/q;;+2/p-2
InChIKeyBJJMQJWQXQQKKF-UHFFFAOYSA-L
XLogP1.03
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.07
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 23623890
CID 23623890
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calcium;hexadecanoate;octadecanoate
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CID 18995554
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CID 56842415

Frequently Asked Questions

What is the IUPAC name of dodecanoate;tin(2+);acetate?
The IUPAC name of dodecanoate;tin(2+);acetate (CID 157367656) is dodecanoate;tin(2+);acetate.
What is the SMILES notation for dodecanoate;tin(2+);acetate?
The canonical SMILES for dodecanoate;tin(2+);acetate is CC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Sn+2].
What is the InChIKey of dodecanoate;tin(2+);acetate?
The InChIKey is BJJMQJWQXQQKKF-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H24O2.C2H4O2.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2(3)4;/h2-11H2,1H3,(H,13,14);1H3,(H,3,4);/q;;+2/p-2.
What are the key properties of dodecanoate;tin(2+);acetate?
dodecanoate;tin(2+);acetate has a molecular weight of 377.07 g/mol, XLogP of 1.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoate;tin(2+);acetate is sourced from PubChem (CID 157367656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).