tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane

C28H52O4Si — CID 11454471

IUPACtert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
SMILESCOCO[C@@H](C)[C@@H]1CC=C(C)[C@@H](CC2=CC[C@@H](C(C)C)[C@]2(C)CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C28H52O4Si/c1-20(2)24-14-13-23(28(24,8)16-17-31-33(10,11)27(5,6)7)18-26-21(3)12-15-25(32-26)22(4)30-19-29-9/h12-13,20,22,24-26H,14-19H2,1-11H3/t22-,24-,25-,26+,28+/m0/s1
InChIKeyTUCZMCXPGIHXIX-HRUXOILCSA-N
MW480.81 g/mol
LogP7.51
Rot. Bonds11

About tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane (PubChem CID 11454471) has the molecular formula C28H52O4Si and a molecular weight of 480.81 g/mol. Its IUPAC name is tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
PubChem CID11454471
Molecular FormulaC28H52O4Si
Molecular Weight480.81 g/mol
Exact Mass480.36
IUPAC Nametert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
SMILESCOCO[C@@H](C)[C@@H]1CC=C(C)[C@@H](CC2=CC[C@@H](C(C)C)[C@]2(C)CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C28H52O4Si/c1-20(2)24-14-13-23(28(24,8)16-17-31-33(10,11)27(5,6)7)18-26-21(3)12-15-25(32-26)22(4)30-19-29-9/h12-13,20,22,24-26H,14-19H2,1-11H3/t22-,24-,25-,26+,28+/m0/s1
InChIKeyTUCZMCXPGIHXIX-HRUXOILCSA-N
XLogP7.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.81
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(methoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
CID 101234070
tert-butyl-[(E)-5-[(1R,2R,5S)-2-[(E)-2-methoxyethenyl]-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-yl]-3-methylpent-2-enoxy]-dimethylsilane
CID 134872853
tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-(methoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
CID 134930786
tert-butyl-[[(4R,5S,8S)-4-[[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-6,6,10-trimethyl-1,3-dioxaspiro[4.5]dec-9-en-8-yl]oxy]-dimethylsilane
CID 134937058
tert-butyl-[(Z)-6-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-3,4-dimethylhex-2-enoxy]-dimethylsilane
CID 10738587
3-[(2R,6R)-2-[(2S,6S,7E,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane
CID 59806075
3-[(2R,6R)-2-[(2S,6S,7E,10S,11R)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane
CID 89241053
3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane
CID 91233561
tert-butyl-[[(2S,3S,6S)-3-butyl-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9995801
tert-butyl-[[(2S,3R,6S)-3-butyl-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 10358297
tert-butyl-[(E)-6-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-3,4-dimethylhex-2-enoxy]-dimethylsilane
CID 10619806
tert-butyl-[(2S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]-6-methyl-4-methylideneheptan-2-yl]oxy-dimethylsilane
CID 10907812

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane (CID 11454471) is tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane is COCO[C@@H](C)[C@@H]1CC=C(C)[C@@H](CC2=CC[C@@H](C(C)C)[C@]2(C)CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane?
The InChIKey is TUCZMCXPGIHXIX-HRUXOILCSA-N. The full InChI is InChI=1S/C28H52O4Si/c1-20(2)24-14-13-23(28(24,8)16-17-31-33(10,11)27(5,6)7)18-26-21(3)12-15-25(32-26)22(4)30-19-29-9/h12-13,20,22,24-26H,14-19H2,1-11H3/t22-,24-,25-,26+,28+/m0/s1.
What are the key properties of tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane has a molecular weight of 480.81 g/mol, XLogP of 7.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1S,5S)-2-[[(2S,6R)-2-[(1S)-1-(methoxymethoxy)ethyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 11454471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).