[(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane

C36H76O2Si2Sn — CID 11061557

IUPAC[(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane
SMILESCCCC[Sn](/C=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)(CCCC)CCCC
InChIInChI=1S/C24H49O2Si2.3C4H9.Sn/c1-15-18(3)17-20(5)23(25-27(10,11)12)21(6)22(19(4)16-2)26-28(13,14)24(7,8)9;3*1-3-4-2;/h1,15,17,19-23H,16H2,2-14H3;3*1,3-4H2,2H3;/b15-1?,18-17+;;;;/t19-,20+,21-,22+,23+;;;;/m0..../s1
InChIKeyIFAOANDQEBCMAC-NNDJSCGGSA-N
MW715.88 g/mol
LogP12.81
Rot. Bonds21

About [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane

[(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 11061557) has the molecular formula C36H76O2Si2Sn and a molecular weight of 715.88 g/mol. Its IUPAC name is [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane
PubChem CID11061557
Molecular FormulaC36H76O2Si2Sn
Molecular Weight715.88 g/mol
Exact Mass716.44
IUPAC Name[(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane
SMILESCCCC[Sn](/C=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)(CCCC)CCCC
InChIInChI=1S/C24H49O2Si2.3C4H9.Sn/c1-15-18(3)17-20(5)23(25-27(10,11)12)21(6)22(19(4)16-2)26-28(13,14)24(7,8)9;3*1-3-4-2;/h1,15,17,19-23H,16H2,2-14H3;3*1,3-4H2,2H3;/b15-1?,18-17+;;;;/t19-,20+,21-,22+,23+;;;;/m0..../s1
InChIKeyIFAOANDQEBCMAC-NNDJSCGGSA-N
XLogP12.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.88
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 131741561
(2S,3S,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-3-trimethylsilyloxyoctanal
CID 11811175
(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
CID 177475405
(E,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyldec-2-ene-1,5-diol
CID 11728066
(E,5R,6R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethylundec-3-en-1-yn-6-ol
CID 10904310
tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one
CID 11488700
tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
CID 87758729
ethyl (E,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethyldec-2-enoate
CID 10949401
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienal
CID 123436052
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane
CID 72701903

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane (CID 11061557) is [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane is CCCC[Sn](/C=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)(CCCC)CCCC.
What is the InChIKey of [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is IFAOANDQEBCMAC-NNDJSCGGSA-N. The full InChI is InChI=1S/C24H49O2Si2.3C4H9.Sn/c1-15-18(3)17-20(5)23(25-27(10,11)12)21(6)22(19(4)16-2)26-28(13,14)24(7,8)9;3*1-3-4-2;/h1,15,17,19-23H,16H2,2-14H3;3*1,3-4H2,2H3;/b15-1?,18-17+;;;;/t19-,20+,21-,22+,23+;;;;/m0..../s1.
What are the key properties of [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane?
[(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 715.88 g/mol, XLogP of 12.81, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11061557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).