(1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol

C24H33NOSi — CID 174098052

IUPAC(1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol
SMILESCN1[C@H]2CCCC[C@H]2C[C@H]1[C@H](O)C[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NOSi/c1-25-22-16-10-9-11-19(22)17-23(25)24(26)18-27(2,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,19,22-24,26H,9-11,16-18H2,1-2H3/t19-,22-,23-,24+/m0/s1
InChIKeyDLGRYKKKBTZQSX-ZNEWLNCYSA-N
MW379.62 g/mol
LogP3.50
Rot. Bonds5

About (1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol

(1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol (PubChem CID 174098052) has the molecular formula C24H33NOSi and a molecular weight of 379.62 g/mol. Its IUPAC name is (1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol
PubChem CID174098052
Molecular FormulaC24H33NOSi
Molecular Weight379.62 g/mol
Exact Mass379.23
IUPAC Name(1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol
SMILESCN1[C@H]2CCCC[C@H]2C[C@H]1[C@H](O)C[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NOSi/c1-25-22-16-10-9-11-19(22)17-23(25)24(26)18-27(2,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,19,22-24,26H,9-11,16-18H2,1-2H3/t19-,22-,23-,24+/m0/s1
InChIKeyDLGRYKKKBTZQSX-ZNEWLNCYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.62
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol?
The IUPAC name of (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) is (1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol.
What is the SMILES notation for (1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol?
The canonical SMILES for (1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol is CN1[C@H]2CCCC[C@H]2C[C@H]1[C@H](O)C[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol?
The InChIKey is DLGRYKKKBTZQSX-ZNEWLNCYSA-N. The full InChI is InChI=1S/C24H33NOSi/c1-25-22-16-10-9-11-19(22)17-23(25)24(26)18-27(2,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,19,22-24,26H,9-11,16-18H2,1-2H3/t19-,22-,23-,24+/m0/s1.
What are the key properties of (1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol?
(1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol has a molecular weight of 379.62 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol is sourced from PubChem (CID 174098052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).