tributyl(hepta-1,2-dienyl)stannane

C19H38Sn — CID 15424020

IUPACtributyl(hepta-1,2-dienyl)stannane
SMILESCCCCC=C=C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H11.3C4H9.Sn/c1-3-5-7-6-4-2;3*1-3-4-2;/h1,5H,4,6-7H2,2H3;3*1,3-4H2,2H3;
InChIKeyDEEFFMNRTXMPDY-UHFFFAOYSA-N
MW385.22 g/mol
LogP7.28
Rot. Bonds13

About tributyl(hepta-1,2-dienyl)stannane

tributyl(hepta-1,2-dienyl)stannane (PubChem CID 15424020) has the molecular formula C19H38Sn and a molecular weight of 385.22 g/mol. Its IUPAC name is tributyl(hepta-1,2-dienyl)stannane.

Molecular Properties

Compound Nametributyl(hepta-1,2-dienyl)stannane
PubChem CID15424020
Molecular FormulaC19H38Sn
Molecular Weight385.22 g/mol
Exact Mass386.20
IUPAC Nametributyl(hepta-1,2-dienyl)stannane
SMILESCCCCC=C=C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H11.3C4H9.Sn/c1-3-5-7-6-4-2;3*1-3-4-2;/h1,5H,4,6-7H2,2H3;3*1,3-4H2,2H3;
InChIKeyDEEFFMNRTXMPDY-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.22
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl(hepta-1,2-dienyl)stannane?
The IUPAC name of tributyl(hepta-1,2-dienyl)stannane (CID 15424020) is tributyl(hepta-1,2-dienyl)stannane.
What is the SMILES notation for tributyl(hepta-1,2-dienyl)stannane?
The canonical SMILES for tributyl(hepta-1,2-dienyl)stannane is CCCCC=C=C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(hepta-1,2-dienyl)stannane?
The InChIKey is DEEFFMNRTXMPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11.3C4H9.Sn/c1-3-5-7-6-4-2;3*1-3-4-2;/h1,5H,4,6-7H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(hepta-1,2-dienyl)stannane?
tributyl(hepta-1,2-dienyl)stannane has a molecular weight of 385.22 g/mol, XLogP of 7.28, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(hepta-1,2-dienyl)stannane is sourced from PubChem (CID 15424020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).