tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane

C19H38OSn — CID 15832543

IUPACtributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1CC/C=C\CCO1
InChIInChI=1S/C7H11O.3C4H9.Sn/c1-2-4-6-8-7-5-3-1;3*1-3-4-2;/h1-2,7H,3-6H2;3*1,3-4H2,2H3;/b2-1-;;;;
InChIKeyXJMSDMOEEZXXST-SQDRRJMKSA-N
MW401.22 g/mol
LogP6.50
Rot. Bonds10

About tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane

tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane (PubChem CID 15832543) has the molecular formula C19H38OSn and a molecular weight of 401.22 g/mol. Its IUPAC name is tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane
PubChem CID15832543
Molecular FormulaC19H38OSn
Molecular Weight401.22 g/mol
Exact Mass402.19
IUPAC Nametributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1CC/C=C\CCO1
InChIInChI=1S/C7H11O.3C4H9.Sn/c1-2-4-6-8-7-5-3-1;3*1-3-4-2;/h1-2,7H,3-6H2;3*1,3-4H2,2H3;/b2-1-;;;;
InChIKeyXJMSDMOEEZXXST-SQDRRJMKSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.22
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane?
The IUPAC name of tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane (CID 15832543) is tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane.
What is the SMILES notation for tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane?
The canonical SMILES for tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)C1CC/C=C\CCO1.
What is the InChIKey of tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane?
The InChIKey is XJMSDMOEEZXXST-SQDRRJMKSA-N. The full InChI is InChI=1S/C7H11O.3C4H9.Sn/c1-2-4-6-8-7-5-3-1;3*1-3-4-2;/h1-2,7H,3-6H2;3*1,3-4H2,2H3;/b2-1-;;;;.
What are the key properties of tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane?
tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane has a molecular weight of 401.22 g/mol, XLogP of 6.50, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane is sourced from PubChem (CID 15832543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).