(3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole

C24H23NO3Si — CID 11003925

IUPAC(3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole
SMILESC[C@@H]1O[Si](c2ccccc2)(c2ccccc2)OCC2=NO[C@@H](c3ccccc3)[C@H]21
InChIInChI=1S/C24H23NO3Si/c1-18-23-22(25-27-24(23)19-11-5-2-6-12-19)17-26-29(28-18,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23-24H,17H2,1H3/t18-,23-,24-/m0/s1
InChIKeyUCCBGXPFDLTYCN-NWVWQQAFSA-N
MW401.54 g/mol
LogP3.42
Rot. Bonds3

About (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole

(3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole (PubChem CID 11003925) has the molecular formula C24H23NO3Si and a molecular weight of 401.54 g/mol. Its IUPAC name is (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole.

Molecular Properties

Compound Name(3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole
PubChem CID11003925
Molecular FormulaC24H23NO3Si
Molecular Weight401.54 g/mol
Exact Mass401.14
IUPAC Name(3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole
SMILESC[C@@H]1O[Si](c2ccccc2)(c2ccccc2)OCC2=NO[C@@H](c3ccccc3)[C@H]21
InChIInChI=1S/C24H23NO3Si/c1-18-23-22(25-27-24(23)19-11-5-2-6-12-19)17-26-29(28-18,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23-24H,17H2,1H3/t18-,23-,24-/m0/s1
InChIKeyUCCBGXPFDLTYCN-NWVWQQAFSA-N
XLogP3.42
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole with MolForge

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Related Compounds

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CID 101126246
(5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole
CID 165341529
2,2,4,4-tetraphenyl-1,3,2,4-dioxadisiletane
CID 15436049
2,2,4,4,6,6,8,8-octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 139055820
2,4,6-trimethyl-2-phenyl-1,3,2-dioxasilinane
CID 14148970
(5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 15939754
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol
CID 99772245
(3S,3aR,5R)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
CID 86701084
trimethyl-[(1S,2R,3S)-3-methyl-1-phenyl-2-propan-2-yl-3,6-dihydro-2H-silin-1-yl]silane
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Frequently Asked Questions

What is the IUPAC name of (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole?
The IUPAC name of (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole (CID 11003925) is (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole.
What is the SMILES notation for (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole?
The canonical SMILES for (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole is C[C@@H]1O[Si](c2ccccc2)(c2ccccc2)OCC2=NO[C@@H](c3ccccc3)[C@H]21.
What is the InChIKey of (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole?
The InChIKey is UCCBGXPFDLTYCN-NWVWQQAFSA-N. The full InChI is InChI=1S/C24H23NO3Si/c1-18-23-22(25-27-24(23)19-11-5-2-6-12-19)17-26-29(28-18,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23-24H,17H2,1H3/t18-,23-,24-/m0/s1.
What are the key properties of (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole?
(3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole has a molecular weight of 401.54 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,4S)-4-methyl-3,6,6-triphenyl-3,3a,4,8-tetrahydro-[1,3,2]dioxasilepino[5,6-c][1,2]oxazole is sourced from PubChem (CID 11003925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).