but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate)

C16H34O3Sn — CID 174192051

IUPACbut-3-en-2-yltin(3+);tris(2-methylpropan-2-olate)
SMILESC=CC(C)[Sn+3].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-]
InChIInChI=1S/3C4H9O.C4H7.Sn/c3*1-4(2,3)5;1-3-4-2;/h3*1-3H3;3-4H,1H2,2H3;/q3*-1;;+3
InChIKeyNVZJZNDEEHCIBS-UHFFFAOYSA-N
MW393.16 g/mol
LogP1.58
Rot. Bonds1

About but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate)

but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate) (PubChem CID 174192051) has the molecular formula C16H34O3Sn and a molecular weight of 393.16 g/mol. Its IUPAC name is but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate).

Molecular Properties

Compound Namebut-3-en-2-yltin(3+);tris(2-methylpropan-2-olate)
PubChem CID174192051
Molecular FormulaC16H34O3Sn
Molecular Weight393.16 g/mol
Exact Mass394.15
IUPAC Namebut-3-en-2-yltin(3+);tris(2-methylpropan-2-olate)
SMILESC=CC(C)[Sn+3].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-]
InChIInChI=1S/3C4H9O.C4H7.Sn/c3*1-4(2,3)5;1-3-4-2;/h3*1-3H3;3-4H,1H2,2H3;/q3*-1;;+3
InChIKeyNVZJZNDEEHCIBS-UHFFFAOYSA-N
XLogP1.58
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.16
LogP ≤ 51.58
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

N,N-dimethylbut-3-en-2-amine
CID 13459667
(2S)-N,N-di(propan-2-yl)but-3-en-2-amine
CID 163439575
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741
cerium;hexakis(2-methylpropan-2-olate)
CID 160781573
chromium(4+);tetrakis(2-methylpropan-2-olate)
CID 131715162
2,4-dimethyl-3-propan-2-ylhex-5-en-3-ol
CID 11263753
2-[but-3-en-2-yl(methyl)amino]-2-methylpropanoic acid
CID 62819782
3-tert-butylpenta-1,4-diene
CID 12556609
3,4-dimethylhexa-1,5-diene
CID 521244
3-methylbut-1-ene;hydrobromide
CID 158395600
(2R,3S)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026554
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026555

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate)?
The IUPAC name of but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate) (CID 174192051) is but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate).
What is the SMILES notation for but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate)?
The canonical SMILES for but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate) is C=CC(C)[Sn+3].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].
What is the InChIKey of but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate)?
The InChIKey is NVZJZNDEEHCIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.C4H7.Sn/c3*1-4(2,3)5;1-3-4-2;/h3*1-3H3;3-4H,1H2,2H3;/q3*-1;;+3.
What are the key properties of but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate)?
but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate) has a molecular weight of 393.16 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate) is sourced from PubChem (CID 174192051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).