[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane

C23H44O2Si2 — CID 134983644

IUPAC[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CCC2=CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C[C@]12C
InChIInChI=1S/C23H44O2Si2/c1-17-13-14-18-15-19(24-26(9,10)21(2,3)4)20(16-23(17,18)8)25-27(11,12)22(5,6)7/h15,19-20H,1,13-14,16H2,2-12H3/t19?,20?,23-/m1/s1
InChIKeyXKZAYVZRKSQRDX-YABDQXBESA-N
MW408.78 g/mol
LogP7.45
Rot. Bonds4

About [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane

[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134983644) has the molecular formula C23H44O2Si2 and a molecular weight of 408.78 g/mol. Its IUPAC name is [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134983644
Molecular FormulaC23H44O2Si2
Molecular Weight408.78 g/mol
Exact Mass408.29
IUPAC Name[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CCC2=CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C[C@]12C
InChIInChI=1S/C23H44O2Si2/c1-17-13-14-18-15-19(24-26(9,10)21(2,3)4)20(16-23(17,18)8)25-27(11,12)22(5,6)7/h15,19-20H,1,13-14,16H2,2-12H3/t19?,20?,23-/m1/s1
InChIKeyXKZAYVZRKSQRDX-YABDQXBESA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.78
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[3-[(E)-6-(5-methoxycyclohexen-1-yl)-3-methylhex-3-enyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21578157
[(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 134983004
tert-butyl-[2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
CID 135003639
tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
CID 18636587
tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968514
tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968519
tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
CID 10596925
tert-butyl-[(E,1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-3-enoxy]-dimethylsilane
CID 10693040
[(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane
CID 10697775
tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
CID 10937883
Tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane
CID 11327674
[(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane
CID 11594946

Frequently Asked Questions

What is the IUPAC name of [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane (CID 134983644) is [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane is C=C1CCC2=CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C[C@]12C.
What is the InChIKey of [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XKZAYVZRKSQRDX-YABDQXBESA-N. The full InChI is InChI=1S/C23H44O2Si2/c1-17-13-14-18-15-19(24-26(9,10)21(2,3)4)20(16-23(17,18)8)25-27(11,12)22(5,6)7/h15,19-20H,1,13-14,16H2,2-12H3/t19?,20?,23-/m1/s1.
What are the key properties of [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane?
[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 408.78 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134983644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).