methanolate;3-methylbut-2-enyltin(3+)

C8H18O3Sn — CID 174192020

IUPACmethanolate;3-methylbut-2-enyltin(3+)
SMILESCC(C)=CC[Sn+3].C[O-].C[O-].C[O-]
InChIInChI=1S/C5H9.3CH3O.Sn/c1-4-5(2)3;3*1-2;/h4H,1H2,2-3H3;3*1H3;/q;3*-1;+3
InChIKeyNNZMACZEGPAIEB-UHFFFAOYSA-N
MW280.94 g/mol
LogP-1.53
Rot. Bonds1

About methanolate;3-methylbut-2-enyltin(3+)

methanolate;3-methylbut-2-enyltin(3+) (PubChem CID 174192020) has the molecular formula C8H18O3Sn and a molecular weight of 280.94 g/mol. Its IUPAC name is methanolate;3-methylbut-2-enyltin(3+).

Molecular Properties

Compound Namemethanolate;3-methylbut-2-enyltin(3+)
PubChem CID174192020
Molecular FormulaC8H18O3Sn
Molecular Weight280.94 g/mol
Exact Mass282.03
IUPAC Namemethanolate;3-methylbut-2-enyltin(3+)
SMILESCC(C)=CC[Sn+3].C[O-].C[O-].C[O-]
InChIInChI=1S/C5H9.3CH3O.Sn/c1-4-5(2)3;3*1-2;/h4H,1H2,2-3H3;3*1H3;/q;3*-1;+3
InChIKeyNNZMACZEGPAIEB-UHFFFAOYSA-N
XLogP-1.53
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.94
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)
CID 174192053
(E)-3-methyl(411C)but-2-en-1-ol
CID 11693897
(3E)-8-methylnona-1,3,7-triene
CID 16752433
3-methylbut-2-en-1-ol;hydrate
CID 172859141
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
N,3-dimethylbut-2-en-1-amine
CID 12688299
(6Z,8Z)-2,11-dimethyldodeca-2,6,8-triene
CID 165392440
(2E)-2-methoxy-6-methylhepta-2,5-diene
CID 143367783
3-methyl-1-prop-2-enoxybut-2-ene
CID 11366991
(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene
CID 143275541
3-methylbut-2-en-1-ol;2-methylprop-1-ene
CID 87257087
(5E)-2,5-dimethylhepta-2,5-diene
CID 12688397

Frequently Asked Questions

What is the IUPAC name of methanolate;3-methylbut-2-enyltin(3+)?
The IUPAC name of methanolate;3-methylbut-2-enyltin(3+) (CID 174192020) is methanolate;3-methylbut-2-enyltin(3+).
What is the SMILES notation for methanolate;3-methylbut-2-enyltin(3+)?
The canonical SMILES for methanolate;3-methylbut-2-enyltin(3+) is CC(C)=CC[Sn+3].C[O-].C[O-].C[O-].
What is the InChIKey of methanolate;3-methylbut-2-enyltin(3+)?
The InChIKey is NNZMACZEGPAIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9.3CH3O.Sn/c1-4-5(2)3;3*1-2;/h4H,1H2,2-3H3;3*1H3;/q;3*-1;+3.
What are the key properties of methanolate;3-methylbut-2-enyltin(3+)?
methanolate;3-methylbut-2-enyltin(3+) has a molecular weight of 280.94 g/mol, XLogP of -1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;3-methylbut-2-enyltin(3+) is sourced from PubChem (CID 174192020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).