tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane

C20H40O2Sn — CID 71722181

IUPACtributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane
SMILESCCCC[Sn](/C=C/CCCC1OCCO1)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-2-3-4-5-8-9-6-7-10-8;3*1-3-4-2;/h1-2,8H,3-7H2;3*1,3-4H2,2H3;
InChIKeyVAMSWEJEAPVRRE-UHFFFAOYSA-N
MW431.25 g/mol
LogP6.47
Rot. Bonds14

About tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane

tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane (PubChem CID 71722181) has the molecular formula C20H40O2Sn and a molecular weight of 431.25 g/mol. Its IUPAC name is tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane
PubChem CID71722181
Molecular FormulaC20H40O2Sn
Molecular Weight431.25 g/mol
Exact Mass432.21
IUPAC Nametributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane
SMILESCCCC[Sn](/C=C/CCCC1OCCO1)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-2-3-4-5-8-9-6-7-10-8;3*1-3-4-2;/h1-2,8H,3-7H2;3*1,3-4H2,2H3;
InChIKeyVAMSWEJEAPVRRE-UHFFFAOYSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.25
LogP ≤ 56.47
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)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane (CID 71722181) is tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane is CCCC[Sn](/C=C/CCCC1OCCO1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane?
The InChIKey is VAMSWEJEAPVRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2.3C4H9.Sn/c1-2-3-4-5-8-9-6-7-10-8;3*1-3-4-2;/h1-2,8H,3-7H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane?
tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane has a molecular weight of 431.25 g/mol, XLogP of 6.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]stannane is sourced from PubChem (CID 71722181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).