[(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane

C27H46O4Si2 — CID 11352338

IUPAC[(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(CO[Si](C)(C)C(C)(C)C)c2c1O[C@H]1CCC=C[C@@]21CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H46O4Si2/c1-25(2,3)32(8,9)29-18-20-15-16-21(28-7)24-23(20)27(17-13-12-14-22(27)31-24)19-30-33(10,11)26(4,5)6/h13,15-17,22H,12,14,18-19H2,1-11H3/t22-,27-/m0/s1
InChIKeyMHPYWWMDYGURTR-CUNXSJBXSA-N
MW490.83 g/mol
LogP7.59
Rot. Bonds7

About [(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane

[(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11352338) has the molecular formula C27H46O4Si2 and a molecular weight of 490.83 g/mol. Its IUPAC name is [(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11352338
Molecular FormulaC27H46O4Si2
Molecular Weight490.83 g/mol
Exact Mass490.29
IUPAC Name[(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(CO[Si](C)(C)C(C)(C)C)c2c1O[C@H]1CCC=C[C@@]21CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H46O4Si2/c1-25(2,3)32(8,9)29-18-20-15-16-21(28-7)24-23(20)27(17-13-12-14-22(27)31-24)19-30-33(10,11)26(4,5)6/h13,15-17,22H,12,14,18-19H2,1-11H3/t22-,27-/m0/s1
InChIKeyMHPYWWMDYGURTR-CUNXSJBXSA-N
XLogP7.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.83
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(4aS,9bS)-9b-methanidyl-6-methoxy-4,4a-dihydro-3H-dibenzofuran;yttrium
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tert-butyl-[(3-methoxy-2-prop-2-enylphenyl)methoxy]-dimethylsilane
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[(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
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-3-yl]methoxy]-dimethylsilane
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4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyphenyl]but-3-en-2-one
CID 68803997
2-[(5aS,6S,9aR)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-(2-nitroethyl)-9-oxo-5a,6,7,8-tetrahydrodibenzofuran-9a-yl]ethyl acetate
CID 154793184
tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane
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tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane
CID 15532514
[(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane
CID 11200139

Frequently Asked Questions

What is the IUPAC name of [(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane (CID 11352338) is [(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane is COc1ccc(CO[Si](C)(C)C(C)(C)C)c2c1O[C@H]1CCC=C[C@@]21CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is MHPYWWMDYGURTR-CUNXSJBXSA-N. The full InChI is InChI=1S/C27H46O4Si2/c1-25(2,3)32(8,9)29-18-20-15-16-21(28-7)24-23(20)27(17-13-12-14-22(27)31-24)19-30-33(10,11)26(4,5)6/h13,15-17,22H,12,14,18-19H2,1-11H3/t22-,27-/m0/s1.
What are the key properties of [(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane?
[(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 490.83 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5aS,9aS)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6,7-dihydro-5aH-dibenzofuran-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11352338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).