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

C29H54O5Si — CID 101234071

IUPACtert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(2-methoxyethoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
SMILESCOCCOCOC[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/C29H54O5Si/c1-22(2)26-14-12-24(29(26,7)15-16-33-35(9,10)28(4,5)6)19-27-23(3)11-13-25(34-27)20-32-21-31-18-17-30-8/h11-12,22,25-27H,13-21H2,1-10H3/t25-,26-,27-,29+/m0/s1
InChIKeyXCWNZBJCISRYSN-PFWSVGDOSA-N
MW510.83 g/mol
LogP7.14
Rot. Bonds14

About tert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(2-methoxyethoxymethoxymethyl)-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,6S)-2-(2-methoxyethoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane (PubChem CID 101234071) has the molecular formula C29H54O5Si and a molecular weight of 510.83 g/mol. Its IUPAC name is tert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(2-methoxyethoxymethoxymethyl)-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,6S)-2-(2-methoxyethoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
PubChem CID101234071
Molecular FormulaC29H54O5Si
Molecular Weight510.83 g/mol
Exact Mass510.37
IUPAC Nametert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(2-methoxyethoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane
SMILESCOCCOCOC[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/C29H54O5Si/c1-22(2)26-14-12-24(29(26,7)15-16-33-35(9,10)28(4,5)6)19-27-23(3)11-13-25(34-27)20-32-21-31-18-17-30-8/h11-12,22,25-27H,13-21H2,1-10H3/t25-,26-,27-,29+/m0/s1
InChIKeyXCWNZBJCISRYSN-PFWSVGDOSA-N
XLogP7.14
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.83
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(2-methoxyethoxymethoxymethyl)-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,6S)-2-(2-methoxyethoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane (CID 101234071) is tert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(2-methoxyethoxymethoxymethyl)-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,6S)-2-(2-methoxyethoxymethoxymethyl)-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,6S)-2-(2-methoxyethoxymethoxymethyl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethoxy]-dimethylsilane is COCCOCOC[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,6S)-2-(2-methoxyethoxymethoxymethyl)-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 XCWNZBJCISRYSN-PFWSVGDOSA-N. The full InChI is InChI=1S/C29H54O5Si/c1-22(2)26-14-12-24(29(26,7)15-16-33-35(9,10)28(4,5)6)19-27-23(3)11-13-25(34-27)20-32-21-31-18-17-30-8/h11-12,22,25-27H,13-21H2,1-10H3/t25-,26-,27-,29+/m0/s1.
What are the key properties of tert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(2-methoxyethoxymethoxymethyl)-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,6S)-2-(2-methoxyethoxymethoxymethyl)-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 510.83 g/mol, XLogP of 7.14, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1S,5S)-2-[[(2S,6S)-2-(2-methoxyethoxymethoxymethyl)-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 101234071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).