tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane

C39H80O3Si2Sn — CID 135036512

IUPACtert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane
SMILESCCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C27H53O3Si2.3C4H9.Sn/c1-16-24(30-32(14,15)27(8,9)10)23(4)25(28-11)22(3)19-17-18-21(2)20-29-31(12,13)26(5,6)7;3*1-3-4-2;/h1,16-19,21,23-25H,20H2,2-15H3;3*1,3-4H2,2H3;/b16-1?,18-17+,22-19+;;;;/t21-,23-,24+,25+;;;;/m0..../s1
InChIKeyBSPLTCRNHHACAF-VDFICXDNSA-N
MW771.95 g/mol
LogP13.13
Rot. Bonds22

About tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane

tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane (PubChem CID 135036512) has the molecular formula C39H80O3Si2Sn and a molecular weight of 771.95 g/mol. Its IUPAC name is tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane
PubChem CID135036512
Molecular FormulaC39H80O3Si2Sn
Molecular Weight771.95 g/mol
Exact Mass772.47
IUPAC Nametert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane
SMILESCCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C27H53O3Si2.3C4H9.Sn/c1-16-24(30-32(14,15)27(8,9)10)23(4)25(28-11)22(3)19-17-18-21(2)20-29-31(12,13)26(5,6)7;3*1-3-4-2;/h1,16-19,21,23-25H,20H2,2-15H3;3*1,3-4H2,2H3;/b16-1?,18-17+,22-19+;;;;/t21-,23-,24+,25+;;;;/m0..../s1
InChIKeyBSPLTCRNHHACAF-VDFICXDNSA-N
XLogP13.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.95
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,6S,8S)-6-[(tert-Butyldimethylsilyl)oxy]-2,2,3,3,8,10,10,11,11-nonamethyl-5-[(1E,3E)-2-methyl-4-(tributylstannyl)buta-1,3-dien-1-yl]-4,9-dioxa-3,10-disiladodecane
CID 131741561
tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane
CID 16757120
tert-butyl-[(2S,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhepta-4,6-dienoxy]-dimethylsilane
CID 134950605
tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane
CID 135017274
[(1S,2S,3Z,5Z,7E,9R,10R,11S,12E,14E,16S)-9,17-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-1-enyl]-11-methoxy-2,4,6,10,12,16-hexamethylheptadeca-3,5,7,12,14-pentaenoxy]-tert-butyl-dimethylsilane
CID 135035938
tert-butyl-[(3S,4S,5E,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane
CID 57788251
tert-butyl-[(2S,4R,6E,8E)-4-[tert-butyl(dimethyl)silyl]oxy-7-methyl-9-tributylstannylnona-6,8-dien-2-yl]oxy-dimethylsilane
CID 89570835
[(1S,2E,4E)-1-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 89570873
[(1R,2E,4E)-1-[(1R,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 89570909
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane
CID 91433527
[(1S)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 154059646
tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-6-[(2R,3S)-3-[(E)-2-tributylstannylethenyl]oxiran-2-yl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 172847084

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane (CID 135036512) is tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane is CCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane?
The InChIKey is BSPLTCRNHHACAF-VDFICXDNSA-N. The full InChI is InChI=1S/C27H53O3Si2.3C4H9.Sn/c1-16-24(30-32(14,15)27(8,9)10)23(4)25(28-11)22(3)19-17-18-21(2)20-29-31(12,13)26(5,6)7;3*1-3-4-2;/h1,16-19,21,23-25H,20H2,2-15H3;3*1,3-4H2,2H3;/b16-1?,18-17+,22-19+;;;;/t21-,23-,24+,25+;;;;/m0..../s1.
What are the key properties of tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane?
tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane has a molecular weight of 771.95 g/mol, XLogP of 13.13, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane is sourced from PubChem (CID 135036512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).