tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane

C31H57FO3SiSn — CID 70294580

IUPACtert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)/C(F)=C(/CCOCc1ccc(OC)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30FO3Si.3C4H9.Sn/c1-19(2,3)24(5,6)23-15-17(13-20)11-12-22-14-16-7-9-18(21-4)10-8-16;3*1-3-4-2;/h7-10H,11-12,14-15H2,1-6H3;3*1,3-4H2,2H3;
InChIKeySBBGKBLFMCCHNF-UHFFFAOYSA-N
MW643.59 g/mol
LogP10.24
Rot. Bonds19

About tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane

tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane (PubChem CID 70294580) has the molecular formula C31H57FO3SiSn and a molecular weight of 643.59 g/mol. Its IUPAC name is tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane
PubChem CID70294580
Molecular FormulaC31H57FO3SiSn
Molecular Weight643.59 g/mol
Exact Mass644.31
IUPAC Nametert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)/C(F)=C(/CCOCc1ccc(OC)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30FO3Si.3C4H9.Sn/c1-19(2,3)24(5,6)23-15-17(13-20)11-12-22-14-16-7-9-18(21-4)10-8-16;3*1-3-4-2;/h7-10H,11-12,14-15H2,1-6H3;3*1,3-4H2,2H3;
InChIKeySBBGKBLFMCCHNF-UHFFFAOYSA-N
XLogP10.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.59
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
CID 25257485
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
7-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]hept-2-yn-4-one
CID 23242869
(E,2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-4-en-3-ol
CID 134841574
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]butan-2-yl] benzoate
CID 156755731
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexanal
CID 101366005
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol
CID 135025916
tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane
CID 177480372
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
CID 20725796
5-[(4-methoxyphenyl)methoxy]-2-[3-[(4-methoxyphenyl)methoxy]propyl]pentan-1-ol
CID 11025823
tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane
CID 59913497
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane (CID 70294580) is tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane is CCCC[Sn](CCCC)(CCCC)/C(F)=C(/CCOCc1ccc(OC)cc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane?
The InChIKey is SBBGKBLFMCCHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FO3Si.3C4H9.Sn/c1-19(2,3)24(5,6)23-15-17(13-20)11-12-22-14-16-7-9-18(21-4)10-8-16;3*1-3-4-2;/h7-10H,11-12,14-15H2,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane?
tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane has a molecular weight of 643.59 g/mol, XLogP of 10.24, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane is sourced from PubChem (CID 70294580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).