[(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane

C49H92O5SiSn — CID 11378013

IUPAC[(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane
SMILESCCCC[Sn](/C=C/C[C@@H](/C=C/C=C\C[C@H]1C[C@H](/C=C/C=C/CCC[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O1)OC(C)(C)OC)(CCCC)CCCC
InChIInChI=1S/C37H65O5Si.3C4H9.Sn/c1-14-23-33(39-36(9,10)38-13)25-21-18-22-27-35-28-34(40-37(11,12)41-35)26-20-17-15-16-19-24-32(8)42-43(29(2)3,30(4)5)31(6)7;3*1-3-4-2;/h1,14-15,17-18,20-22,25-26,29-35H,16,19,23-24,27-28H2,2-13H3;3*1,3-4H2,2H3;/b14-1?,17-15+,22-18-,25-21+,26-20+;;;;/t32-,33+,34+,35+;;;;/m1..../s1
InChIKeyUIEULKWJSBWORI-PFMLGGANSA-N
MW908.07 g/mol
LogP15.36
Rot. Bonds30

About [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane

[(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11378013) has the molecular formula C49H92O5SiSn and a molecular weight of 908.07 g/mol. Its IUPAC name is [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID11378013
Molecular FormulaC49H92O5SiSn
Molecular Weight908.07 g/mol
Exact Mass908.57
IUPAC Name[(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane
SMILESCCCC[Sn](/C=C/C[C@@H](/C=C/C=C\C[C@H]1C[C@H](/C=C/C=C/CCC[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O1)OC(C)(C)OC)(CCCC)CCCC
InChIInChI=1S/C37H65O5Si.3C4H9.Sn/c1-14-23-33(39-36(9,10)38-13)25-21-18-22-27-35-28-34(40-37(11,12)41-35)26-20-17-15-16-19-24-32(8)42-43(29(2)3,30(4)5)31(6)7;3*1-3-4-2;/h1,14-15,17-18,20-22,25-26,29-35H,16,19,23-24,27-28H2,2-13H3;3*1,3-4H2,2H3;/b14-1?,17-15+,22-18-,25-21+,26-20+;;;;/t32-,33+,34+,35+;;;;/m1..../s1
InChIKeyUIEULKWJSBWORI-PFMLGGANSA-N
XLogP15.36
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.07
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

methyl (2Z,4E,7S,8E,10Z)-12-[(4S,6R)-6-[(1E,3E,8R)-8-hydroxynona-1,3-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]-7-(2-methoxypropan-2-yloxy)dodeca-2,4,8,10-tetraenoate
CID 11398690
butyl 2-[(4R,6R)-2,2-dimethyl-6-[(E)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]acetate
CID 11082137
tert-butyl-[(2R,6E,8E)-9-[(4R,6R)-6-[(1S)-3-iodo-1-phenylmethoxyprop-2-ynyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane
CID 134853562
2-[(4R,6R)-6-[(1E,3E,8R)-8-[(4-methoxyphenyl)methoxy]nona-1,3-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl-triphenylphosphanium
CID 11274339
ethyl (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-7-[3-[(4R,6R)-6-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]phenyl]hepta-2,4-dienoate
CID 101272340
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S,6R)-2,2,5-trimethyl-6-[(E,2S)-5-tributylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]pentanoic acid
CID 46211632
tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane
CID 135049326
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 11468178
tributyl-[(E)-5-[(4R,6S)-2,2-dimethyl-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]pent-1-enyl]stannane
CID 11238986
tert-butyl-dimethyl-[(2R,6E,8E)-undeca-6,8,10-trien-2-yl]oxysilane
CID 11004320
tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
[(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane
CID 10927345

Frequently Asked Questions

What is the IUPAC name of [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane (CID 11378013) is [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane is CCCC[Sn](/C=C/C[C@@H](/C=C/C=C\C[C@H]1C[C@H](/C=C/C=C/CCC[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O1)OC(C)(C)OC)(CCCC)CCCC.
What is the InChIKey of [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is UIEULKWJSBWORI-PFMLGGANSA-N. The full InChI is InChI=1S/C37H65O5Si.3C4H9.Sn/c1-14-23-33(39-36(9,10)38-13)25-21-18-22-27-35-28-34(40-37(11,12)41-35)26-20-17-15-16-19-24-32(8)42-43(29(2)3,30(4)5)31(6)7;3*1-3-4-2;/h1,14-15,17-18,20-22,25-26,29-35H,16,19,23-24,27-28H2,2-13H3;3*1,3-4H2,2H3;/b14-1?,17-15+,22-18-,25-21+,26-20+;;;;/t32-,33+,34+,35+;;;;/m1..../s1.
What are the key properties of [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane?
[(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 908.07 g/mol, XLogP of 15.36, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11378013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).