(Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one

C38H40O4Sn — CID 16683208

IUPAC(Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one
SMILESCCCC[Sn](CCCC)(O/C(=C\C(=O)c1ccccc1)c1ccccc1)O/C(=C\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/2C15H12O2.2C4H9.Sn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-3-4-2;/h2*1-11,16H;2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*14-11-;;;
InChIKeyZLSZWTRTSIVTTB-BGFMMZJESA-L
MW679.45 g/mol
LogP9.91
Rot. Bonds16

About (Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one

(Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one (PubChem CID 16683208) has the molecular formula C38H40O4Sn and a molecular weight of 679.45 g/mol. Its IUPAC name is (Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one
PubChem CID16683208
Molecular FormulaC38H40O4Sn
Molecular Weight679.45 g/mol
Exact Mass680.19
IUPAC Name(Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one
SMILESCCCC[Sn](CCCC)(O/C(=C\C(=O)c1ccccc1)c1ccccc1)O/C(=C\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/2C15H12O2.2C4H9.Sn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-3-4-2;/h2*1-11,16H;2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*14-11-;;;
InChIKeyZLSZWTRTSIVTTB-BGFMMZJESA-L
XLogP9.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.45
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Stannane, benzoyloxytriphenyl-
CID 16684201
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CID 16683523
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Dibutyltin dibenzoate
CID 16694597
Triphenyltin 4-fluorobenzoate
CID 16712016
2-(2,6-diphenyl-4H-pyran-4-ylidene)-1-phenylethanone
CID 12272528
(1Z,4E)-1-Hydroxy-1,5-diphenyl-1,4-pentadien-3-one
CID 6450843
1-phenylicosane-1,3-dione, barium salt
CID 91809135
Bis(benzoyloxy)(triphenyl)-lambda~5~-stibane
CID 16685126
[(Z)-4-oxo-1,4-diphenyl-3-tritert-butylphosphaniumylbut-1-enoxy]-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 102289183
tricopper;hexakis((Z)-3-oxo-1,3-bis[4-(trifluoromethyl)phenyl]prop-1-en-1-olate)
CID 139118576
[4-[6-[4-Bis(2,4,6-trimethylphenyl)boranylphenyl]-2,2-difluoro-1-oxa-3-oxonia-2-boranuidacyclohexa-3,5-dien-4-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 139142071

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one (CID 16683208) is (Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one is CCCC[Sn](CCCC)(O/C(=C\C(=O)c1ccccc1)c1ccccc1)O/C(=C\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is ZLSZWTRTSIVTTB-BGFMMZJESA-L. The full InChI is InChI=1S/2C15H12O2.2C4H9.Sn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-3-4-2;/h2*1-11,16H;2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*14-11-;;;.
What are the key properties of (Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one?
(Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one has a molecular weight of 679.45 g/mol, XLogP of 9.91, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[dibutyl-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 16683208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).