tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane

C34H64O3Si2 — CID 134942378

IUPACtert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C1CO[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C=C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C34H64O3Si2/c1-17-20-31(36-38(15,16)34(12,13)14)32(28(11)22-19-21-24(3)4)30-23-35-33(29(30)18-2)37-39(25(5)6,26(7)8)27(9)10/h1,18,21,25-33H,2,19-20,22-23H2,3-16H3/t28-,29+,30?,31-,32+,33+/m1/s1
InChIKeyROBLYSIKXIECGH-IALKZTHMSA-N
MW577.06 g/mol
LogP10.37
Rot. Bonds15

About tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane (PubChem CID 134942378) has the molecular formula C34H64O3Si2 and a molecular weight of 577.06 g/mol. Its IUPAC name is tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane
PubChem CID134942378
Molecular FormulaC34H64O3Si2
Molecular Weight577.06 g/mol
Exact Mass576.44
IUPAC Nametert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C1CO[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C=C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C34H64O3Si2/c1-17-20-31(36-38(15,16)34(12,13)14)32(28(11)22-19-21-24(3)4)30-23-35-33(29(30)18-2)37-39(25(5)6,26(7)8)27(9)10/h1,18,21,25-33H,2,19-20,22-23H2,3-16H3/t28-,29+,30?,31-,32+,33+/m1/s1
InChIKeyROBLYSIKXIECGH-IALKZTHMSA-N
XLogP10.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.06
LogP ≤ 510.37
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane (CID 134942378) is tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C1CO[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C=C)[C@H](C)CCC=C(C)C.
What is the InChIKey of tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane?
The InChIKey is ROBLYSIKXIECGH-IALKZTHMSA-N. The full InChI is InChI=1S/C34H64O3Si2/c1-17-20-31(36-38(15,16)34(12,13)14)32(28(11)22-19-21-24(3)4)30-23-35-33(29(30)18-2)37-39(25(5)6,26(7)8)27(9)10/h1,18,21,25-33H,2,19-20,22-23H2,3-16H3/t28-,29+,30?,31-,32+,33+/m1/s1.
What are the key properties of tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane has a molecular weight of 577.06 g/mol, XLogP of 10.37, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R,5S,6R)-5-[(4S,5S)-4-ethenyl-5-tri(propan-2-yl)silyloxyoxolan-3-yl]-6,10-dimethylundec-9-en-1-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 134942378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).