tributyl(2,3-dihydro-1H-inden-4-yl)stannane

C21H36Sn — CID 173360447

IUPACtributyl(2,3-dihydro-1H-inden-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc2c1CCC2
InChIInChI=1S/C9H9.3C4H9.Sn/c1-2-5-9-7-3-6-8(9)4-1;3*1-3-4-2;/h1-2,4H,3,6-7H2;3*1,3-4H2,2H3;
InChIKeySSYSBNLYNBIWFK-UHFFFAOYSA-N
MW407.23 g/mol
LogP6.23
Rot. Bonds10

About tributyl(2,3-dihydro-1H-inden-4-yl)stannane

tributyl(2,3-dihydro-1H-inden-4-yl)stannane (PubChem CID 173360447) has the molecular formula C21H36Sn and a molecular weight of 407.23 g/mol. Its IUPAC name is tributyl(2,3-dihydro-1H-inden-4-yl)stannane.

Molecular Properties

Compound Nametributyl(2,3-dihydro-1H-inden-4-yl)stannane
PubChem CID173360447
Molecular FormulaC21H36Sn
Molecular Weight407.23 g/mol
Exact Mass408.18
IUPAC Nametributyl(2,3-dihydro-1H-inden-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc2c1CCC2
InChIInChI=1S/C9H9.3C4H9.Sn/c1-2-5-9-7-3-6-8(9)4-1;3*1-3-4-2;/h1-2,4H,3,6-7H2;3*1,3-4H2,2H3;
InChIKeySSYSBNLYNBIWFK-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.23
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tributyl(2,3-dihydro-1H-inden-4-yl)stannane?
The IUPAC name of tributyl(2,3-dihydro-1H-inden-4-yl)stannane (CID 173360447) is tributyl(2,3-dihydro-1H-inden-4-yl)stannane.
What is the SMILES notation for tributyl(2,3-dihydro-1H-inden-4-yl)stannane?
The canonical SMILES for tributyl(2,3-dihydro-1H-inden-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cccc2c1CCC2.
What is the InChIKey of tributyl(2,3-dihydro-1H-inden-4-yl)stannane?
The InChIKey is SSYSBNLYNBIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9.3C4H9.Sn/c1-2-5-9-7-3-6-8(9)4-1;3*1-3-4-2;/h1-2,4H,3,6-7H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl(2,3-dihydro-1H-inden-4-yl)stannane?
tributyl(2,3-dihydro-1H-inden-4-yl)stannane has a molecular weight of 407.23 g/mol, XLogP of 6.23, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2,3-dihydro-1H-inden-4-yl)stannane is sourced from PubChem (CID 173360447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).