trimethyl(3-methylbut-1-ynyl)stannane

C8H16Sn — CID 14959223

IUPACtrimethyl(3-methylbut-1-ynyl)stannane
SMILESCC(C)C#C[Sn](C)(C)C
InChIInChI=1S/C5H7.3CH3.Sn/c1-4-5(2)3;;;;/h5H,2-3H3;3*1H3;
InChIKeyROBYCQWFRPAGOR-UHFFFAOYSA-N
MW230.93 g/mol
LogP2.52
Rot. Bonds

About trimethyl(3-methylbut-1-ynyl)stannane

trimethyl(3-methylbut-1-ynyl)stannane (PubChem CID 14959223) has the molecular formula C8H16Sn and a molecular weight of 230.93 g/mol. Its IUPAC name is trimethyl(3-methylbut-1-ynyl)stannane.

Molecular Properties

Compound Nametrimethyl(3-methylbut-1-ynyl)stannane
PubChem CID14959223
Molecular FormulaC8H16Sn
Molecular Weight230.93 g/mol
Exact Mass232.03
IUPAC Nametrimethyl(3-methylbut-1-ynyl)stannane
SMILESCC(C)C#C[Sn](C)(C)C
InChIInChI=1S/C5H7.3CH3.Sn/c1-4-5(2)3;;;;/h5H,2-3H3;3*1H3;
InChIKeyROBYCQWFRPAGOR-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.93
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-Hexyne, 2,5-dimethyl-
CID 136716
3-Octyne, 2-methyl-
CID 316589
3-Hexyne, 2,2,5-trimethyl
CID 529291
3,6-Dimethyl-4-octyne
CID 13485082
3-Heptyne, 2,6-dimethyl-
CID 519669
3-Heptyne, 2-methyl
CID 529287
4-Octyne, 2,7-dimethyl
CID 529294
2,7-Dimethyl-octa-3,5-diyne
CID 15641370
3,3-Dimethylbut-1-ynyl(trimethyl)stannane
CID 11791427
Trimethyl(pent-1-yn-1-yl)stannane
CID 13173605
Dimethyl-bis(pent-1-ynyl)stannane
CID 21598040
Tributyl(3-methylbut-1-yn-1-yl)stannane
CID 13830632

Frequently Asked Questions

What is the IUPAC name of trimethyl(3-methylbut-1-ynyl)stannane?
The IUPAC name of trimethyl(3-methylbut-1-ynyl)stannane (CID 14959223) is trimethyl(3-methylbut-1-ynyl)stannane.
What is the SMILES notation for trimethyl(3-methylbut-1-ynyl)stannane?
The canonical SMILES for trimethyl(3-methylbut-1-ynyl)stannane is CC(C)C#C[Sn](C)(C)C.
What is the InChIKey of trimethyl(3-methylbut-1-ynyl)stannane?
The InChIKey is ROBYCQWFRPAGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.3CH3.Sn/c1-4-5(2)3;;;;/h5H,2-3H3;3*1H3;.
What are the key properties of trimethyl(3-methylbut-1-ynyl)stannane?
trimethyl(3-methylbut-1-ynyl)stannane has a molecular weight of 230.93 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-methylbut-1-ynyl)stannane is sourced from PubChem (CID 14959223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).