tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane

C32H48O3Si2 — CID 11049790

IUPACtert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane
SMILESC=CC[C@H]1[C@@]23CCC=C[C@@H]2C[C@@](CO[Si](C)(C)C(C)(C)C)(C[C@@]1(C#Cc1ccccc1)O[Si](C)(C)C)O3
InChIInChI=1S/C32H48O3Si2/c1-10-16-28-31(35-36(5,6)7,22-20-26-17-12-11-13-18-26)24-30(25-33-37(8,9)29(2,3)4)23-27-19-14-15-21-32(27,28)34-30/h10-14,17-19,27-28H,1,15-16,21,23-25H2,2-9H3/t27-,28-,30+,31-,32-/m1/s1
InChIKeyQYSCSNGNRTXMEI-HEUDMROTSA-N
MW536.91 g/mol
LogP8.11
Rot. Bonds7

About tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane

tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane (PubChem CID 11049790) has the molecular formula C32H48O3Si2 and a molecular weight of 536.91 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane
PubChem CID11049790
Molecular FormulaC32H48O3Si2
Molecular Weight536.91 g/mol
Exact Mass536.31
IUPAC Nametert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane
SMILESC=CC[C@H]1[C@@]23CCC=C[C@@H]2C[C@@](CO[Si](C)(C)C(C)(C)C)(C[C@@]1(C#Cc1ccccc1)O[Si](C)(C)C)O3
InChIInChI=1S/C32H48O3Si2/c1-10-16-28-31(35-36(5,6)7,22-20-26-17-12-11-13-18-26)24-30(25-33-37(8,9)29(2,3)4)23-27-19-14-15-21-32(27,28)34-30/h10-14,17-19,27-28H,1,15-16,21,23-25H2,2-9H3/t27-,28-,30+,31-,32-/m1/s1
InChIKeyQYSCSNGNRTXMEI-HEUDMROTSA-N
XLogP8.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.91
LogP ≤ 58.11
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'}

Analyze tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane with MolForge

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Related Compounds

tert-butyl-dimethyl-[[(1R,3R,4S,5R)-3-(2-phenylethynyl)-5-(phenylmethoxymethoxymethyl)-4-prop-2-enyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methoxy]silane
CID 101140426
(1S,2R,3R,7R,8R,9S,11R,12S,13R,14R)-12-bromo-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5,5-dimethyl-13-(2-phenylethynyl)-8-phenylmethoxy-14-prop-2-enyl-4,6,15-trioxatetracyclo[9.3.1.01,9.03,7]pentadecan-13-ol
CID 52918495
trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
CID 134942107
(1R,2S,4R,5Z,6R,8S,10S,14S)-5-benzylidene-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,14-dimethyl-6-trimethylsilyloxy-15-oxatetracyclo[6.6.1.01,10.02,6]pentadec-11-en-13-one
CID 11387502
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
CID 101364464
(1R,2S,4S,5E,6R,8S,10R,14S)-5-benzylidene-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,14-dimethyl-6-trimethylsilyloxy-15-oxatetracyclo[6.6.1.01,10.02,6]pentadecan-13-one
CID 15812715
(3aS,4R,5aS,9S)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-1,2,3,4,5,5a,8,9-octahydrocyclopenta[i]inden-9-ol
CID 102366997
tert-butyl-diphenyl-[2-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]silane
CID 122400498
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217
2-(6,6-dimethylcyclohex-2-en-1-yl)ethynylbenzene
CID 139832442
tris[4-[tert-butyl(dimethyl)silyl]oxybutyl]-(2-phenylethynyl)boranuide
CID 135048483

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane (CID 11049790) is tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane is C=CC[C@H]1[C@@]23CCC=C[C@@H]2C[C@@](CO[Si](C)(C)C(C)(C)C)(C[C@@]1(C#Cc1ccccc1)O[Si](C)(C)C)O3.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane?
The InChIKey is QYSCSNGNRTXMEI-HEUDMROTSA-N. The full InChI is InChI=1S/C32H48O3Si2/c1-10-16-28-31(35-36(5,6)7,22-20-26-17-12-11-13-18-26)24-30(25-33-37(8,9)29(2,3)4)23-27-19-14-15-21-32(27,28)34-30/h10-14,17-19,27-28H,1,15-16,21,23-25H2,2-9H3/t27-,28-,30+,31-,32-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane has a molecular weight of 536.91 g/mol, XLogP of 8.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,6S,8S,10R,11S)-10-(2-phenylethynyl)-11-prop-2-enyl-10-trimethylsilyloxy-12-oxatricyclo[6.3.1.01,6]dodec-4-en-8-yl]methoxy]silane is sourced from PubChem (CID 11049790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).