tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane

C22H38OSeSn — CID 10649526

IUPACtributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/[Se]c1ccccc1)COC
InChIInChI=1S/C10H11OSe.3C4H9.Sn/c1-11-8-5-9-12-10-6-3-2-4-7-10;3*1-3-4-2;/h2-4,6-7,9H,8H2,1H3;3*1,3-4H2,2H3;
InChIKeyFRJDOBRHHBVHMB-UHFFFAOYSA-N
MW516.22 g/mol
LogP5.93
Rot. Bonds14

About tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane

tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane (PubChem CID 10649526) has the molecular formula C22H38OSeSn and a molecular weight of 516.22 g/mol. Its IUPAC name is tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane
PubChem CID10649526
Molecular FormulaC22H38OSeSn
Molecular Weight516.22 g/mol
Exact Mass518.11
IUPAC Nametributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/[Se]c1ccccc1)COC
InChIInChI=1S/C10H11OSe.3C4H9.Sn/c1-11-8-5-9-12-10-6-3-2-4-7-10;3*1-3-4-2;/h2-4,6-7,9H,8H2,1H3;3*1,3-4H2,2H3;
InChIKeyFRJDOBRHHBVHMB-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.22
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane
CID 134904966
tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane
CID 15314212
[(Z)-3-phenyl-2-tributylstannylprop-2-enoxy]-tri(propan-2-yl)silane
CID 134950737
[(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane
CID 177475090
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
tributyl-[(2E,4Z)-5-phenylpenta-2,4-dien-2-yl]stannane
CID 11212663
2-phenylselanylethene-1,1-diol
CID 11790922
trimethyl-[(E)-1-phenyl-2-phenylselanylethenoxy]silane
CID 11759796
tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane
CID 10697509
tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane
CID 10671765
tributyl-(2,2-difluoro-1-phenylethenyl)stannane
CID 24824295
[(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane
CID 57326464

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane?
The IUPAC name of tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane (CID 10649526) is tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane.
What is the SMILES notation for tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane?
The canonical SMILES for tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C/[Se]c1ccccc1)COC.
What is the InChIKey of tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane?
The InChIKey is FRJDOBRHHBVHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11OSe.3C4H9.Sn/c1-11-8-5-9-12-10-6-3-2-4-7-10;3*1-3-4-2;/h2-4,6-7,9H,8H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane?
tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane has a molecular weight of 516.22 g/mol, XLogP of 5.93, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane is sourced from PubChem (CID 10649526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).