tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane

C23H40OSeSn — CID 10697509

IUPACtributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\COC)[Se]c1ccc(C)cc1
InChIInChI=1S/C11H13OSe.3C4H9.Sn/c1-10-4-6-11(7-5-10)13-9-3-8-12-2;3*1-3-4-2;/h3-7H,8H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyDKFMURCKUAHRGJ-UHFFFAOYSA-N
MW530.24 g/mol
LogP6.24
Rot. Bonds14

About tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane

tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane (PubChem CID 10697509) has the molecular formula C23H40OSeSn and a molecular weight of 530.24 g/mol. Its IUPAC name is tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane
PubChem CID10697509
Molecular FormulaC23H40OSeSn
Molecular Weight530.24 g/mol
Exact Mass532.13
IUPAC Nametributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\COC)[Se]c1ccc(C)cc1
InChIInChI=1S/C11H13OSe.3C4H9.Sn/c1-10-4-6-11(7-5-10)13-9-3-8-12-2;3*1-3-4-2;/h3-7H,8H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyDKFMURCKUAHRGJ-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.24
LogP ≤ 56.24
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
tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane
CID 177417219
tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane
CID 10577652
tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane
CID 10649526
tributyl-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]stannane
CID 135076440
tert-butyl-dimethyl-[(E)-4-[(S)-(4-methylphenyl)sulfinyl]-4-tributylstannylbut-3-enoxy]silane
CID 25139411
tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane
CID 177466862
tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane
CID 177431043
tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane
CID 134905017
formaldehyde;hexane;1,4-xylene
CID 143308406
hexane;methyl 4-methylbenzoate
CID 143689226

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane (CID 10697509) is tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C\COC)[Se]c1ccc(C)cc1.
What is the InChIKey of tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane?
The InChIKey is DKFMURCKUAHRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13OSe.3C4H9.Sn/c1-10-4-6-11(7-5-10)13-9-3-8-12-2;3*1-3-4-2;/h3-7H,8H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane?
tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane has a molecular weight of 530.24 g/mol, XLogP of 6.24, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane is sourced from PubChem (CID 10697509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).