tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane

C22H46O3Sn — CID 11113553

IUPACtributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane
SMILESCCCC[Sn](/C=C\C(CCC)OOC(C)(C)OC)(CCCC)CCCC
InChIInChI=1S/C10H19O3.3C4H9.Sn/c1-6-8-9(7-2)12-13-10(3,4)11-5;3*1-3-4-2;/h2,7,9H,6,8H2,1,3-5H3;3*1,3-4H2,2H3;
InChIKeyICRXRBDWTPSMNZ-UHFFFAOYSA-N
MW477.32 g/mol
LogP7.43
Rot. Bonds17

About tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane

tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane (PubChem CID 11113553) has the molecular formula C22H46O3Sn and a molecular weight of 477.32 g/mol. Its IUPAC name is tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane
PubChem CID11113553
Molecular FormulaC22H46O3Sn
Molecular Weight477.32 g/mol
Exact Mass478.25
IUPAC Nametributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane
SMILESCCCC[Sn](/C=C\C(CCC)OOC(C)(C)OC)(CCCC)CCCC
InChIInChI=1S/C10H19O3.3C4H9.Sn/c1-6-8-9(7-2)12-13-10(3,4)11-5;3*1-3-4-2;/h2,7,9H,6,8H2,1,3-5H3;3*1,3-4H2,2H3;
InChIKeyICRXRBDWTPSMNZ-UHFFFAOYSA-N
XLogP7.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.32
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane (CID 11113553) is tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane is CCCC[Sn](/C=C\C(CCC)OOC(C)(C)OC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane?
The InChIKey is ICRXRBDWTPSMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3.3C4H9.Sn/c1-6-8-9(7-2)12-13-10(3,4)11-5;3*1-3-4-2;/h2,7,9H,6,8H2,1,3-5H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane?
tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane has a molecular weight of 477.32 g/mol, XLogP of 7.43, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane is sourced from PubChem (CID 11113553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).