[(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane

C20H32O3Si — CID 158416039

IUPAC[(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOc1cccc2c1O[C@H]1C[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]21
InChIInChI=1S/C20H32O3Si/c1-13-11-17-18(14-9-8-10-16(21-5)19(14)23-17)15(13)12-22-24(6,7)20(2,3)4/h8-10,13,15,17-18H,11-12H2,1-7H3/t13-,15+,17+,18-/m1/s1
InChIKeyWQAAMIYKLRLGSJ-HUHSQHJXSA-N
MW348.56 g/mol
LogP5.22
Rot. Bonds4

About [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane

[(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 158416039) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID158416039
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Name[(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOc1cccc2c1O[C@H]1C[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]21
InChIInChI=1S/C20H32O3Si/c1-13-11-17-18(14-9-8-10-16(21-5)19(14)23-17)15(13)12-22-24(6,7)20(2,3)4/h8-10,13,15,17-18H,11-12H2,1-7H3/t13-,15+,17+,18-/m1/s1
InChIKeyWQAAMIYKLRLGSJ-HUHSQHJXSA-N
XLogP5.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

methyl 3-[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]propanoate
CID 154429211
[(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane
CID 161308948
(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-carbaldehyde;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;(1-dimethoxyphosphoryl-2-oxopropyl)azaniumylideneazanide
CID 159146499
(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 83907540
(1R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-(4-oxopentyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-carbaldehyde
CID 162048676
tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane
CID 140749012
(3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohexan-1-one
CID 11165096
[(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11352338
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
tert-butyl-dimethyl-[[(2R,3R)-3-methyloxolan-2-yl]methoxy]silane
CID 102031042
(4aR,9S,9aS,10R)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-4a,9,9a,10-tetrahydroanthracene-1,4-dione
CID 101011974
trans-(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropan-1-amine
CID 15042667

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane (CID 158416039) is [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane is COc1cccc2c1O[C@H]1C[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]21.
What is the InChIKey of [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is WQAAMIYKLRLGSJ-HUHSQHJXSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-13-11-17-18(14-9-8-10-16(21-5)19(14)23-17)15(13)12-22-24(6,7)20(2,3)4/h8-10,13,15,17-18H,11-12H2,1-7H3/t13-,15+,17+,18-/m1/s1.
What are the key properties of [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane?
[(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 348.56 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3aS,8bS)-5-methoxy-2-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 158416039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).