tributyl(6-tributylstannylhexa-1,5-diynyl)stannane

C30H58Sn2 — CID 15733956

IUPACtributyl(6-tributylstannylhexa-1,5-diynyl)stannane
SMILESCCCC[Sn](C#CCCC#C[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChIInChI=1S/C6H4.6C4H9.2Sn/c1-3-5-6-4-2;6*1-3-4-2;;/h5-6H2;6*1,3-4H2,2H3;;
InChIKeyOOKGFJIPTPBNLB-UHFFFAOYSA-N
MW656.22 g/mol
LogP10.55
Rot. Bonds19

About tributyl(6-tributylstannylhexa-1,5-diynyl)stannane

tributyl(6-tributylstannylhexa-1,5-diynyl)stannane (PubChem CID 15733956) has the molecular formula C30H58Sn2 and a molecular weight of 656.22 g/mol. Its IUPAC name is tributyl(6-tributylstannylhexa-1,5-diynyl)stannane.

Molecular Properties

Compound Nametributyl(6-tributylstannylhexa-1,5-diynyl)stannane
PubChem CID15733956
Molecular FormulaC30H58Sn2
Molecular Weight656.22 g/mol
Exact Mass658.26
IUPAC Nametributyl(6-tributylstannylhexa-1,5-diynyl)stannane
SMILESCCCC[Sn](C#CCCC#C[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChIInChI=1S/C6H4.6C4H9.2Sn/c1-3-5-6-4-2;6*1-3-4-2;;/h5-6H2;6*1,3-4H2,2H3;;
InChIKeyOOKGFJIPTPBNLB-UHFFFAOYSA-N
XLogP10.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.22
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol
CID 177468630
hex-1-ynyl(trimethyl)stannane
CID 10933747
tributyl(2-cyclobutylethynyl)stannane
CID 70009182
tributyl(3,3-diethoxyprop-1-ynyl)stannane
CID 12764991
methyl (Z)-5-tributylstannylpent-2-en-4-ynoate
CID 177462533
tributyl(hex-2-ynyl)stannane
CID 134884620
tetrabutylstannane
CID 160899301
tetrabutylstannane;hydrate
CID 87560971
pentadeca-5,10-diyne
CID 15530767
henicos-8-yne
CID 22224321
tributyl-[2-[(1S,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]stannane
CID 124919059
tributyl-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethynyl]stannane
CID 22731088

Frequently Asked Questions

What is the IUPAC name of tributyl(6-tributylstannylhexa-1,5-diynyl)stannane?
The IUPAC name of tributyl(6-tributylstannylhexa-1,5-diynyl)stannane (CID 15733956) is tributyl(6-tributylstannylhexa-1,5-diynyl)stannane.
What is the SMILES notation for tributyl(6-tributylstannylhexa-1,5-diynyl)stannane?
The canonical SMILES for tributyl(6-tributylstannylhexa-1,5-diynyl)stannane is CCCC[Sn](C#CCCC#C[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(6-tributylstannylhexa-1,5-diynyl)stannane?
The InChIKey is OOKGFJIPTPBNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.6C4H9.2Sn/c1-3-5-6-4-2;6*1-3-4-2;;/h5-6H2;6*1,3-4H2,2H3;;.
What are the key properties of tributyl(6-tributylstannylhexa-1,5-diynyl)stannane?
tributyl(6-tributylstannylhexa-1,5-diynyl)stannane has a molecular weight of 656.22 g/mol, XLogP of 10.55, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(6-tributylstannylhexa-1,5-diynyl)stannane is sourced from PubChem (CID 15733956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).