tributyl(hex-2-ynyl)stannane

C18H36Sn — CID 134884620

IUPACtributyl(hex-2-ynyl)stannane
SMILESCCCC#CC[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H9.3C4H9.Sn/c1-3-5-6-4-2;3*1-3-4-2;/h1,4,6H2,2H3;3*1,3-4H2,2H3;
InChIKeyDFSQEXJXIPSTLC-UHFFFAOYSA-N
MW371.20 g/mol
LogP6.64
Rot. Bonds11

About tributyl(hex-2-ynyl)stannane

tributyl(hex-2-ynyl)stannane (PubChem CID 134884620) has the molecular formula C18H36Sn and a molecular weight of 371.20 g/mol. Its IUPAC name is tributyl(hex-2-ynyl)stannane.

Molecular Properties

Compound Nametributyl(hex-2-ynyl)stannane
PubChem CID134884620
Molecular FormulaC18H36Sn
Molecular Weight371.20 g/mol
Exact Mass372.18
IUPAC Nametributyl(hex-2-ynyl)stannane
SMILESCCCC#CC[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H9.3C4H9.Sn/c1-3-5-6-4-2;3*1-3-4-2;/h1,4,6H2,2H3;3*1,3-4H2,2H3;
InChIKeyDFSQEXJXIPSTLC-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.20
LogP ≤ 56.64
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

tetrabutylstannane
CID 160899301
tetradeca-4,9-diyne
CID 173328648
tetrabutylstannane;hydrate
CID 87560971
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
dodeca-4,7-diyne
CID 173074460
tributyl(hexadecyl)stannane
CID 174658060
pentadeca-5,10-diyne
CID 15530767
tributyl(6-tributylstannylhexa-1,5-diynyl)stannane
CID 15733956
heptadeca-4,7,10-triyne
CID 171715223
butyl(trioctyl)stannane;hydrochloride
CID 175572560
diheptyl(dioctyl)stannane
CID 152736724

Frequently Asked Questions

What is the IUPAC name of tributyl(hex-2-ynyl)stannane?
The IUPAC name of tributyl(hex-2-ynyl)stannane (CID 134884620) is tributyl(hex-2-ynyl)stannane.
What is the SMILES notation for tributyl(hex-2-ynyl)stannane?
The canonical SMILES for tributyl(hex-2-ynyl)stannane is CCCC#CC[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(hex-2-ynyl)stannane?
The InChIKey is DFSQEXJXIPSTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.3C4H9.Sn/c1-3-5-6-4-2;3*1-3-4-2;/h1,4,6H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(hex-2-ynyl)stannane?
tributyl(hex-2-ynyl)stannane has a molecular weight of 371.20 g/mol, XLogP of 6.64, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(hex-2-ynyl)stannane is sourced from PubChem (CID 134884620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).