(3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole

C23H22OSi — CID 11110656

IUPAC(3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole
SMILESCC1[C@@H]2c3ccccc3C[C@@H]2O[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22OSi/c1-17-23-21-15-9-8-10-18(21)16-22(23)24-25(17,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,17,22-23H,16H2,1H3/t17?,22-,23+/m0/s1
InChIKeyCQCCKTJOEYKDKN-VBMOORDVSA-N
MW342.51 g/mol
LogP3.88
Rot. Bonds2

About (3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole

(3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole (PubChem CID 11110656) has the molecular formula C23H22OSi and a molecular weight of 342.51 g/mol. Its IUPAC name is (3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole.

Molecular Properties

Compound Name(3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole
PubChem CID11110656
Molecular FormulaC23H22OSi
Molecular Weight342.51 g/mol
Exact Mass342.14
IUPAC Name(3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole
SMILESCC1[C@@H]2c3ccccc3C[C@@H]2O[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22OSi/c1-17-23-21-15-9-8-10-18(21)16-22(23)24-25(17,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,17,22-23H,16H2,1H3/t17?,22-,23+/m0/s1
InChIKeyCQCCKTJOEYKDKN-VBMOORDVSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole?
The IUPAC name of (3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole (CID 11110656) is (3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole.
What is the SMILES notation for (3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole?
The canonical SMILES for (3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole is CC1[C@@H]2c3ccccc3C[C@@H]2O[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of (3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole?
The InChIKey is CQCCKTJOEYKDKN-VBMOORDVSA-N. The full InChI is InChI=1S/C23H22OSi/c1-17-23-21-15-9-8-10-18(21)16-22(23)24-25(17,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,17,22-23H,16H2,1H3/t17?,22-,23+/m0/s1.
What are the key properties of (3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole?
(3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole has a molecular weight of 342.51 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole is sourced from PubChem (CID 11110656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).