[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane

C26H37NOSi — CID 134864911

IUPAC[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCN1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C26H37NOSi/c1-26(2,3)29(23-14-7-5-8-15-23,24-16-9-6-10-17-24)28-20-22-19-21-13-11-12-18-25(21)27(22)4/h5-10,14-17,21-22,25H,11-13,18-20H2,1-4H3/t21-,22-,25-/m0/s1
InChIKeyYMERNVRJOFITEK-HWBMXIPRSA-N
MW407.67 g/mol
LogP4.83
Rot. Bonds5

About [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 134864911) has the molecular formula C26H37NOSi and a molecular weight of 407.67 g/mol. Its IUPAC name is [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID134864911
Molecular FormulaC26H37NOSi
Molecular Weight407.67 g/mol
Exact Mass407.26
IUPAC Name[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCN1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C26H37NOSi/c1-26(2,3)29(23-14-7-5-8-15-23,24-16-9-6-10-17-24)28-20-22-19-21-13-11-12-18-25(21)27(22)4/h5-10,14-17,21-22,25H,11-13,18-20H2,1-4H3/t21-,22-,25-/m0/s1
InChIKeyYMERNVRJOFITEK-HWBMXIPRSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.67
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane
CID 102297276
tert-butyl-[(3R,4R)-3-methyl-4-[(2S)-pyrrolidin-2-yl]hex-5-enoxy]-diphenylsilane
CID 154712403
tert-butyl-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-diphenylsilane
CID 57817457
(1S)-1-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol
CID 154041021
[(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol
CID 165162966
tert-butyl-[[(3S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane
CID 169225334
tert-butyl-[[(3R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane
CID 169225373
(1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol
CID 169321875
(1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol
CID 174098052
(1-Benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane
CID 174147111
tert-butyl-[[(3S,8S)-7-methyl-6-methylidene-1,2,3,5,7,8-hexahydropyrrolizin-3-yl]methoxy]-diphenylsilane
CID 176039078
tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane
CID 176896041

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane (CID 134864911) is [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane is CN1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]2CCCC[C@@H]21.
What is the InChIKey of [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is YMERNVRJOFITEK-HWBMXIPRSA-N. The full InChI is InChI=1S/C26H37NOSi/c1-26(2,3)29(23-14-7-5-8-15-23,24-16-9-6-10-17-24)28-20-22-19-21-13-11-12-18-25(21)27(22)4/h5-10,14-17,21-22,25H,11-13,18-20H2,1-4H3/t21-,22-,25-/m0/s1.
What are the key properties of [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 407.67 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 134864911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).