tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane

C49H100O3Si3Sn — CID 134942379

IUPACtert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane
SMILESC=C[C@H]1C([C@H]([C@H](C)CCC=C(C)C)[C@@H](C/C(=C/[Si](C)(C)C)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C)CO[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C37H73O3Si3.3C4H9.Sn/c1-19-32-33(26-38-36(32)40-43(28(4)5,29(6)7)30(8)9)35(31(10)23-20-22-27(2)3)34(24-21-25-41(14,15)16)39-42(17,18)37(11,12)13;3*1-3-4-2;/h19,22,25,28-36H,1,20,23-24,26H2,2-18H3;3*1,3-4H2,2H3;/t31-,32+,33?,34-,35+,36+;;;;/m1..../s1
InChIKeyIWWKNVSNHIEWGH-ZLNKOOPYSA-N
MW940.30 g/mol
LogP16.92
Rot. Bonds27

About tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane

tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane (PubChem CID 134942379) has the molecular formula C49H100O3Si3Sn and a molecular weight of 940.30 g/mol. Its IUPAC name is tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane
PubChem CID134942379
Molecular FormulaC49H100O3Si3Sn
Molecular Weight940.30 g/mol
Exact Mass940.60
IUPAC Nametert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane
SMILESC=C[C@H]1C([C@H]([C@H](C)CCC=C(C)C)[C@@H](C/C(=C/[Si](C)(C)C)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C)CO[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C37H73O3Si3.3C4H9.Sn/c1-19-32-33(26-38-36(32)40-43(28(4)5,29(6)7)30(8)9)35(31(10)23-20-22-27(2)3)34(24-21-25-41(14,15)16)39-42(17,18)37(11,12)13;3*1-3-4-2;/h19,22,25,28-36H,1,20,23-24,26H2,2-18H3;3*1,3-4H2,2H3;/t31-,32+,33?,34-,35+,36+;;;;/m1..../s1
InChIKeyIWWKNVSNHIEWGH-ZLNKOOPYSA-N
XLogP16.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.30
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane (CID 134942379) is tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane is C=C[C@H]1C([C@H]([C@H](C)CCC=C(C)C)[C@@H](C/C(=C/[Si](C)(C)C)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C)CO[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane?
The InChIKey is IWWKNVSNHIEWGH-ZLNKOOPYSA-N. The full InChI is InChI=1S/C37H73O3Si3.3C4H9.Sn/c1-19-32-33(26-38-36(32)40-43(28(4)5,29(6)7)30(8)9)35(31(10)23-20-22-27(2)3)34(24-21-25-41(14,15)16)39-42(17,18)37(11,12)13;3*1-3-4-2;/h19,22,25,28-36H,1,20,23-24,26H2,2-18H3;3*1,3-4H2,2H3;/t31-,32+,33?,34-,35+,36+;;;;/m1..../s1.
What are the key properties of tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane?
tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane has a molecular weight of 940.30 g/mol, XLogP of 16.92, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1Z,4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethyl-2-tributylstannyl-1-trimethylsilylundeca-1,9-dien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 134942379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).