tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane

C23H46O2Sn — CID 134887422

IUPACtributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane
SMILESCCCC[Sn](/C=C(\C)CCCOC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C11H19O2.3C4H9.Sn/c1-10(2)6-5-9-13-11-7-3-4-8-12-11;3*1-3-4-2;/h1,11H,3-9H2,2H3;3*1,3-4H2,2H3;
InChIKeyAYDZAIOXRSYIIZ-UHFFFAOYSA-N
MW473.33 g/mol
LogP7.64
Rot. Bonds15

About tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane

tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane (PubChem CID 134887422) has the molecular formula C23H46O2Sn and a molecular weight of 473.33 g/mol. Its IUPAC name is tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane
PubChem CID134887422
Molecular FormulaC23H46O2Sn
Molecular Weight473.33 g/mol
Exact Mass474.25
IUPAC Nametributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane
SMILESCCCC[Sn](/C=C(\C)CCCOC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C11H19O2.3C4H9.Sn/c1-10(2)6-5-9-13-11-7-3-4-8-12-11;3*1-3-4-2;/h1,11H,3-9H2,2H3;3*1,3-4H2,2H3;
InChIKeyAYDZAIOXRSYIIZ-UHFFFAOYSA-N
XLogP7.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.33
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane (CID 134887422) is tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane is CCCC[Sn](/C=C(\C)CCCOC1CCCCO1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane?
The InChIKey is AYDZAIOXRSYIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O2.3C4H9.Sn/c1-10(2)6-5-9-13-11-7-3-4-8-12-11;3*1-3-4-2;/h1,11H,3-9H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane?
tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane has a molecular weight of 473.33 g/mol, XLogP of 7.64, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-methyl-5-(oxan-2-yloxy)pent-1-enyl]stannane is sourced from PubChem (CID 134887422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).