tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane

C27H56O2Si2 — CID 141158621

IUPACtert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane
SMILESCCCC[C@@H](CC/C=C/C=C/[C@@H](CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O2Si2/c1-13-15-21-25(29-31(11,12)27(6,7)8)23-19-17-16-18-22-24(20-14-2)28-30(9,10)26(3,4)5/h16-18,22,24-25H,13-15,19-21,23H2,1-12H3/b17-16+,22-18+/t24-,25+/m1/s1
InChIKeyOYLRZIXJKZSIBT-AGEXODFMSA-N
MW468.92 g/mol
LogP9.65
Rot. Bonds14

About tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane

tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane (PubChem CID 141158621) has the molecular formula C27H56O2Si2 and a molecular weight of 468.92 g/mol. Its IUPAC name is tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane
PubChem CID141158621
Molecular FormulaC27H56O2Si2
Molecular Weight468.92 g/mol
Exact Mass468.38
IUPAC Nametert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane
SMILESCCCC[C@@H](CC/C=C/C=C/[C@@H](CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O2Si2/c1-13-15-21-25(29-31(11,12)27(6,7)8)23-19-17-16-18-22-24(20-14-2)28-30(9,10)26(3,4)5/h16-18,22,24-25H,13-15,19-21,23H2,1-12H3/b17-16+,22-18+/t24-,25+/m1/s1
InChIKeyOYLRZIXJKZSIBT-AGEXODFMSA-N
XLogP9.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.92
LogP ≤ 59.65
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'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
CID 71343055
tert-butyl-dimethyl-[(7E,9Z)-12-trimethylsilyldodeca-7,9-dien-11-yn-6-yl]oxysilane
CID 11024906
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
methyl (11R,12E,14Z)-11-[tert-butyl(dimethyl)silyl]oxyicosa-12,14-dien-5,8-diynoate
CID 134976599
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306
[(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid
CID 129405347
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
CID 129405343
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
tert-butyl-dimethyl-[(E,5S)-1-(2,5,5-trimethyl-1,3-dioxa-2-boranuidacyclohex-2-yl)tridec-1-en-5-yl]oxysilane
CID 102316517
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane (CID 141158621) is tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane is CCCC[C@@H](CC/C=C/C=C/[C@@H](CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane?
The InChIKey is OYLRZIXJKZSIBT-AGEXODFMSA-N. The full InChI is InChI=1S/C27H56O2Si2/c1-13-15-21-25(29-31(11,12)27(6,7)8)23-19-17-16-18-22-24(20-14-2)28-30(9,10)26(3,4)5/h16-18,22,24-25H,13-15,19-21,23H2,1-12H3/b17-16+,22-18+/t24-,25+/m1/s1.
What are the key properties of tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane?
tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane has a molecular weight of 468.92 g/mol, XLogP of 9.65, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 141158621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).