3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)

C17H36O3Sn — CID 174192053

IUPAC3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)=CC[Sn+3]
InChIInChI=1S/C5H9.3C4H9O.Sn/c1-4-5(2)3;3*1-4(2,3)5;/h4H,1H2,2-3H3;3*1-3H3;/q;3*-1;+3
InChIKeyIVTLTWVRKCDWHN-UHFFFAOYSA-N
MW407.18 g/mol
LogP1.98
Rot. Bonds1

About 3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)

3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate) (PubChem CID 174192053) has the molecular formula C17H36O3Sn and a molecular weight of 407.18 g/mol. Its IUPAC name is 3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate).

Molecular Properties

Compound Name3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)
PubChem CID174192053
Molecular FormulaC17H36O3Sn
Molecular Weight407.18 g/mol
Exact Mass408.17
IUPAC Name3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)=CC[Sn+3]
InChIInChI=1S/C5H9.3C4H9O.Sn/c1-4-5(2)3;3*1-4(2,3)5;/h4H,1H2,2-3H3;3*1-3H3;/q;3*-1;+3
InChIKeyIVTLTWVRKCDWHN-UHFFFAOYSA-N
XLogP1.98
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)?
The IUPAC name of 3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate) (CID 174192053) is 3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate).
What is the SMILES notation for 3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)?
The canonical SMILES for 3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate) is CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)=CC[Sn+3].
What is the InChIKey of 3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)?
The InChIKey is IVTLTWVRKCDWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9.3C4H9O.Sn/c1-4-5(2)3;3*1-4(2,3)5;/h4H,1H2,2-3H3;3*1-3H3;/q;3*-1;+3.
What are the key properties of 3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)?
3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate) has a molecular weight of 407.18 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate) is sourced from PubChem (CID 174192053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).