(1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol

C23H31NOSi — CID 169321875

IUPAC(1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol
SMILESC[Si](C[C@H](O)[C@H]1C[C@H]2CCCC[C@H]2N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOSi/c1-26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)17-23(25)22-16-18-10-8-9-15-21(18)24-22/h2-7,11-14,18,21-25H,8-10,15-17H2,1H3/t18-,21-,22-,23+/m1/s1
InChIKeyCHKBFOYHUVWNGE-HWHRFOGPSA-N
MW365.59 g/mol
LogP3.16
Rot. Bonds5

About (1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol

(1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol (PubChem CID 169321875) has the molecular formula C23H31NOSi and a molecular weight of 365.59 g/mol. Its IUPAC name is (1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol
PubChem CID169321875
Molecular FormulaC23H31NOSi
Molecular Weight365.59 g/mol
Exact Mass365.22
IUPAC Name(1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol
SMILESC[Si](C[C@H](O)[C@H]1C[C@H]2CCCC[C@H]2N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOSi/c1-26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)17-23(25)22-16-18-10-8-9-15-21(18)24-22/h2-7,11-14,18,21-25H,8-10,15-17H2,1H3/t18-,21-,22-,23+/m1/s1
InChIKeyCHKBFOYHUVWNGE-HWHRFOGPSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol?
The IUPAC name of (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) is (1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol.
What is the SMILES notation for (1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol?
The canonical SMILES for (1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol is C[Si](C[C@H](O)[C@H]1C[C@H]2CCCC[C@H]2N1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol?
The InChIKey is CHKBFOYHUVWNGE-HWHRFOGPSA-N. The full InChI is InChI=1S/C23H31NOSi/c1-26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)17-23(25)22-16-18-10-8-9-15-21(18)24-22/h2-7,11-14,18,21-25H,8-10,15-17H2,1H3/t18-,21-,22-,23+/m1/s1.
What are the key properties of (1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol?
(1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol has a molecular weight of 365.59 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-2-[methyl(diphenyl)silyl]ethanol is sourced from PubChem (CID 169321875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).