tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane

C21H42O2Sn — CID 134888396

IUPACtributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane
SMILESCCCC[Sn](C/C=C/COC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C9H15O2.3C4H9.Sn/c1-2-3-7-10-9-6-4-5-8-11-9;3*1-3-4-2;/h2-3,9H,1,4-8H2;3*1,3-4H2,2H3;/b3-2+;;;;
InChIKeyZXKIXYBYKAQIEN-KHLYBYSVSA-N
MW445.28 g/mol
LogP6.93
Rot. Bonds14

About tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane

tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane (PubChem CID 134888396) has the molecular formula C21H42O2Sn and a molecular weight of 445.28 g/mol. Its IUPAC name is tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane
PubChem CID134888396
Molecular FormulaC21H42O2Sn
Molecular Weight445.28 g/mol
Exact Mass446.22
IUPAC Nametributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane
SMILESCCCC[Sn](C/C=C/COC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C9H15O2.3C4H9.Sn/c1-2-3-7-10-9-6-4-5-8-11-9;3*1-3-4-2;/h2-3,9H,1,4-8H2;3*1,3-4H2,2H3;/b3-2+;;;;
InChIKeyZXKIXYBYKAQIEN-KHLYBYSVSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.28
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane?
The IUPAC name of tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane (CID 134888396) is tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane?
The canonical SMILES for tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane is CCCC[Sn](C/C=C/COC1CCCCO1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane?
The InChIKey is ZXKIXYBYKAQIEN-KHLYBYSVSA-N. The full InChI is InChI=1S/C9H15O2.3C4H9.Sn/c1-2-3-7-10-9-6-4-5-8-11-9;3*1-3-4-2;/h2-3,9H,1,4-8H2;3*1,3-4H2,2H3;/b3-2+;;;;.
What are the key properties of tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane?
tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane has a molecular weight of 445.28 g/mol, XLogP of 6.93, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane is sourced from PubChem (CID 134888396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).