(E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one

C36H48OSiSn — CID 15681860

IUPAC(E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one
SMILESC/C=C/C(=C\[Sn](CCCC)(CCCC)CCCC)C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21OSi.3C4H9.Sn/c1-3-13-20(2)24(25)26(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;3*1-3-4-2;/h2-19H,1H3;3*1,3-4H2,2H3;/b13-3+,20-2?;;;;
InChIKeyADIPLMYUHIIHHW-TYWBRIMSSA-N
MW643.58 g/mol
LogP8.16
Rot. Bonds16

About (E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one

(E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one (PubChem CID 15681860) has the molecular formula C36H48OSiSn and a molecular weight of 643.58 g/mol. Its IUPAC name is (E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one.

Molecular Properties

Compound Name(E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one
PubChem CID15681860
Molecular FormulaC36H48OSiSn
Molecular Weight643.58 g/mol
Exact Mass644.25
IUPAC Name(E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one
SMILESC/C=C/C(=C\[Sn](CCCC)(CCCC)CCCC)C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21OSi.3C4H9.Sn/c1-3-13-20(2)24(25)26(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;3*1-3-4-2;/h2-19H,1H3;3*1,3-4H2,2H3;/b13-3+,20-2?;;;;
InChIKeyADIPLMYUHIIHHW-TYWBRIMSSA-N
XLogP8.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.58
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Acetyltriphenylsilane
CID 5226386
(Methacryloyloxy)triphenyltin
CID 16684478
(E)-3-iodo-1-triphenylsilylprop-2-en-1-one
CID 14934032
(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one
CID 14934034
(2E)-1-triphenylsilylpenta-2,4-dien-1-one
CID 14934037
3-Methyl-1-triphenylsilylbut-2-en-1-one
CID 14976916
Triphenylsilyl vinyl ketone
CID 15033005
(E)-1-triphenylsilylhept-2-en-1-one
CID 15033619
(2E)-2-(tributylstannylmethylidene)-1-triphenylsilylbutane-1,3-dione
CID 15681859
methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate
CID 15681861
(E)-3-trimethylsilyl-1-triphenylsilylprop-2-en-1-one
CID 101115089
Silane, (1-oxopropyl)triphenyl-
CID 5172917

Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one?
The IUPAC name of (E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one (CID 15681860) is (E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one.
What is the SMILES notation for (E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one?
The canonical SMILES for (E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one is C/C=C/C(=C\[Sn](CCCC)(CCCC)CCCC)C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one?
The InChIKey is ADIPLMYUHIIHHW-TYWBRIMSSA-N. The full InChI is InChI=1S/C24H21OSi.3C4H9.Sn/c1-3-13-20(2)24(25)26(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;3*1-3-4-2;/h2-19H,1H3;3*1,3-4H2,2H3;/b13-3+,20-2?;;;;.
What are the key properties of (E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one?
(E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one has a molecular weight of 643.58 g/mol, XLogP of 8.16, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one is sourced from PubChem (CID 15681860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).