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

C22H44O2Sn — CID 10671602

IUPACtributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane
SMILESCCCC[Sn](/C=C\CCCOC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C10H17O2.3C4H9.Sn/c1-2-3-5-8-11-10-7-4-6-9-12-10;3*1-3-4-2;/h1-2,10H,3-9H2;3*1,3-4H2,2H3;
InChIKeyJWTQERIFUKZIEN-UHFFFAOYSA-N
MW459.30 g/mol
LogP7.25
Rot. Bonds15

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

tributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane (PubChem CID 10671602) has the molecular formula C22H44O2Sn and a molecular weight of 459.30 g/mol. Its IUPAC name is tributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane
PubChem CID10671602
Molecular FormulaC22H44O2Sn
Molecular Weight459.30 g/mol
Exact Mass460.24
IUPAC Nametributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane
SMILESCCCC[Sn](/C=C\CCCOC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C10H17O2.3C4H9.Sn/c1-2-3-5-8-11-10-7-4-6-9-12-10;3*1-3-4-2;/h1-2,10H,3-9H2;3*1,3-4H2,2H3;
InChIKeyJWTQERIFUKZIEN-UHFFFAOYSA-N
XLogP7.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.30
LogP ≤ 57.25
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-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane (CID 10671602) is tributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane is CCCC[Sn](/C=C\CCCOC1CCCCO1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane?
The InChIKey is JWTQERIFUKZIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O2.3C4H9.Sn/c1-2-3-5-8-11-10-7-4-6-9-12-10;3*1-3-4-2;/h1-2,10H,3-9H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane?
tributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane has a molecular weight of 459.30 g/mol, XLogP of 7.25, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-5-(oxan-2-yloxy)pent-1-enyl]stannane is sourced from PubChem (CID 10671602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).