(3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane

C22H21ClOSi — CID 122390730

IUPAC(3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane
SMILESC[C@@H]1C[C@@H](c2cccc(Cl)c2)O[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClOSi/c1-17-15-22(18-9-8-10-19(23)16-18)24-25(17,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-14,16-17,22H,15H2,1H3/t17-,22+/m1/s1
InChIKeyIKTOPMWBZXNLBV-VGSWGCGISA-N
MW364.95 g/mol
LogP4.95
Rot. Bonds3

About (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane

(3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane (PubChem CID 122390730) has the molecular formula C22H21ClOSi and a molecular weight of 364.95 g/mol. Its IUPAC name is (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane.

Molecular Properties

Compound Name(3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane
PubChem CID122390730
Molecular FormulaC22H21ClOSi
Molecular Weight364.95 g/mol
Exact Mass364.11
IUPAC Name(3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane
SMILESC[C@@H]1C[C@@H](c2cccc(Cl)c2)O[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClOSi/c1-17-15-22(18-9-8-10-19(23)16-18)24-25(17,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-14,16-17,22H,15H2,1H3/t17-,22+/m1/s1
InChIKeyIKTOPMWBZXNLBV-VGSWGCGISA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.95
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
(2S,6S)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39243005
(2R,6R)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39242999
2-(3-chlorophenyl)-5-phenylmorpholine
CID 63183821
2-(3-chlorophenyl)-4-methyl-6-oxabicyclo[3.1.0]hexane
CID 90346557
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
5-(3-chlorophenyl)-1,3-oxazolidine
CID 15261641
(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 70899680
1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
CID 15269278
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
(2R)-2-(3-chlorophenyl)-4-(2-methyl-1-phenylpropan-2-yl)morpholine
CID 26338216

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane?
The IUPAC name of (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane (CID 122390730) is (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane.
What is the SMILES notation for (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane?
The canonical SMILES for (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane is C[C@@H]1C[C@@H](c2cccc(Cl)c2)O[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane?
The InChIKey is IKTOPMWBZXNLBV-VGSWGCGISA-N. The full InChI is InChI=1S/C22H21ClOSi/c1-17-15-22(18-9-8-10-19(23)16-18)24-25(17,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-14,16-17,22H,15H2,1H3/t17-,22+/m1/s1.
What are the key properties of (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane?
(3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane has a molecular weight of 364.95 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane is sourced from PubChem (CID 122390730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).