tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane

C27H52O5Si2 — CID 11005757

IUPACtert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane
SMILESCC1(C)OC2C/C=C\[C@@H]3O[C@H](CCC2O1)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]3O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52O5Si2/c1-25(2,3)33(9,10)31-23-18-24(32-34(11,12)26(4,5)6)20-16-17-22-21(29-27(7,8)30-22)15-13-14-19(23)28-20/h13-14,19-24H,15-18H2,1-12H3/b14-13-/t19-,20+,21?,22?,23+,24-/m0/s1
InChIKeyOBBDGDKXKNJMGY-HMUAINDASA-N
MW512.88 g/mol
LogP7.18
Rot. Bonds4

About tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane (PubChem CID 11005757) has the molecular formula C27H52O5Si2 and a molecular weight of 512.88 g/mol. Its IUPAC name is tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane
PubChem CID11005757
Molecular FormulaC27H52O5Si2
Molecular Weight512.88 g/mol
Exact Mass512.34
IUPAC Nametert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane
SMILESCC1(C)OC2C/C=C\[C@@H]3O[C@H](CCC2O1)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]3O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52O5Si2/c1-25(2,3)33(9,10)31-23-18-24(32-34(11,12)26(4,5)6)20-16-17-22-21(29-27(7,8)30-22)15-13-14-19(23)28-20/h13-14,19-24H,15-18H2,1-12H3/b14-13-/t19-,20+,21?,22?,23+,24-/m0/s1
InChIKeyOBBDGDKXKNJMGY-HMUAINDASA-N
XLogP7.18
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.88
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane with MolForge

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Related Compounds

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[(6S,6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl]oxy-tert-butyl-dimethylsilane
CID 44598795
tert-Butyl-{2-[3-(2-methoxyethoxymethoxy)-6-propenyltetrahydropyran-2-yl)]ethoxy}dimethylsilane
CID 46894695
2-[2-(tert-Butyldimethylsilanyloxy)ethyl]-6-[6-(tert-butyldimethylsilanyloxyhept-1-en 3-(2-methoxyethoxymethoxy)tetrahydropyran
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triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
CID 71517010
triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
CID 71517011
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(5S,6S)-5-(methoxymethoxy)-2,2-dimethyl-3-tridecyl-5,6-dihydrooxasilin-6-yl]methoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 134846021
[(2S,3S,4R,5S,6S,8R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-ethenyl-1,7-dioxaspiro[5.5]undecan-5-yl]oxy-tert-butyl-dimethylsilane
CID 134962518
[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134973116
2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane
CID 135011424
[(6R,6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl]oxy-tert-butyl-dimethylsilane
CID 135013965
tert-butyl-[(1S)-1-[(2S,5R)-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]ethoxy]-dimethylsilane
CID 164671267

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane (CID 11005757) is tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane is CC1(C)OC2C/C=C\[C@@H]3O[C@H](CCC2O1)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]3O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane?
The InChIKey is OBBDGDKXKNJMGY-HMUAINDASA-N. The full InChI is InChI=1S/C27H52O5Si2/c1-25(2,3)33(9,10)31-23-18-24(32-34(11,12)26(4,5)6)20-16-17-22-21(29-27(7,8)30-22)15-13-14-19(23)28-20/h13-14,19-24H,15-18H2,1-12H3/b14-13-/t19-,20+,21?,22?,23+,24-/m0/s1.
What are the key properties of tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane has a molecular weight of 512.88 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11005757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).