3,3-dimethylbut-1-ynyl(trimethyl)stannane

C9H18Sn — CID 11791427

IUPAC3,3-dimethylbut-1-ynyl(trimethyl)stannane
SMILESCC(C)(C)C#C[Sn](C)(C)C
InChIInChI=1S/C6H9.3CH3.Sn/c1-5-6(2,3)4;;;;/h2-4H3;3*1H3;
InChIKeyYQXIHQLFVHROFF-UHFFFAOYSA-N
MW244.95 g/mol
LogP2.91
Rot. Bonds

About 3,3-dimethylbut-1-ynyl(trimethyl)stannane

3,3-dimethylbut-1-ynyl(trimethyl)stannane (PubChem CID 11791427) has the molecular formula C9H18Sn and a molecular weight of 244.95 g/mol. Its IUPAC name is 3,3-dimethylbut-1-ynyl(trimethyl)stannane.

Molecular Properties

Compound Name3,3-dimethylbut-1-ynyl(trimethyl)stannane
PubChem CID11791427
Molecular FormulaC9H18Sn
Molecular Weight244.95 g/mol
Exact Mass246.04
IUPAC Name3,3-dimethylbut-1-ynyl(trimethyl)stannane
SMILESCC(C)(C)C#C[Sn](C)(C)C
InChIInChI=1S/C6H9.3CH3.Sn/c1-5-6(2,3)4;;;;/h2-4H3;3*1H3;
InChIKeyYQXIHQLFVHROFF-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.95
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3-dimethylbut-1-ynyl(trimethyl)stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbut-1-ynyl(trimethyl)stannane?
The IUPAC name of 3,3-dimethylbut-1-ynyl(trimethyl)stannane (CID 11791427) is 3,3-dimethylbut-1-ynyl(trimethyl)stannane.
What is the SMILES notation for 3,3-dimethylbut-1-ynyl(trimethyl)stannane?
The canonical SMILES for 3,3-dimethylbut-1-ynyl(trimethyl)stannane is CC(C)(C)C#C[Sn](C)(C)C.
What is the InChIKey of 3,3-dimethylbut-1-ynyl(trimethyl)stannane?
The InChIKey is YQXIHQLFVHROFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.3CH3.Sn/c1-5-6(2,3)4;;;;/h2-4H3;3*1H3;.
What are the key properties of 3,3-dimethylbut-1-ynyl(trimethyl)stannane?
3,3-dimethylbut-1-ynyl(trimethyl)stannane has a molecular weight of 244.95 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbut-1-ynyl(trimethyl)stannane is sourced from PubChem (CID 11791427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).