(3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine

C28H39NOSi — CID 101356409

IUPAC(3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C[C@@H]3CCN4CCCC[C@@H]4[C@@H]3O2)c(C)c1
InChIInChI=1S/C28H39NOSi/c1-18-13-20(3)27(21(4)14-18)31(28-22(5)15-19(2)16-23(28)6)17-24-10-12-29-11-8-7-9-25(29)26(24)30-31/h13-16,24-26H,7-12,17H2,1-6H3/t24-,25+,26+/m0/s1
InChIKeyOVLNXQNEYDWACR-JIMJEQGWSA-N
MW433.71 g/mol
LogP4.87
Rot. Bonds2

About (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine

(3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine (PubChem CID 101356409) has the molecular formula C28H39NOSi and a molecular weight of 433.71 g/mol. Its IUPAC name is (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine.

Molecular Properties

Compound Name(3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine
PubChem CID101356409
Molecular FormulaC28H39NOSi
Molecular Weight433.71 g/mol
Exact Mass433.28
IUPAC Name(3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C[C@@H]3CCN4CCCC[C@@H]4[C@@H]3O2)c(C)c1
InChIInChI=1S/C28H39NOSi/c1-18-13-20(3)27(21(4)14-18)31(28-22(5)15-19(2)16-23(28)6)17-24-10-12-29-11-8-7-9-25(29)26(24)30-31/h13-16,24-26H,7-12,17H2,1-6H3/t24-,25+,26+/m0/s1
InChIKeyOVLNXQNEYDWACR-JIMJEQGWSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.71
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine with MolForge

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Related Compounds

CID 10508936
CID 10508936
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane
CID 71484917
(3aR,9aR,9bR)-2,2-bis(2,4,6-trimethylphenyl)-3a,4,6,7,8,9,9a,9b-octahydro-3H-oxasilolo[5,4-a]indolizine
CID 101356407
(3aR,9aS,9bR)-2,2-bis(2,4,6-trimethylphenyl)-3a,4,6,7,8,9,9a,9b-octahydro-3H-oxasilolo[5,4-a]indolizine
CID 101356408
(3aR,10aS,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine
CID 101356410
(3aR,9aR,9bR)-2,2-bis(2,4,6-trimethylphenyl)-3a,4,5,7,8,9,9a,9b-octahydro-3H-oxasilolo[4,5-g]indolizine
CID 101356411
(9aS,9bR)-2,2-bis(2,4,6-trimethylphenyl)-6,7,8,9,9a,9b-hexahydro-4H-oxasilolo[5,4-a]indolizine
CID 101356412
(3aR,9aS,9bR)-2,2-bis(2,4,6-trimethylphenyl)-3a,4,5,7,8,9,9a,9b-octahydro-3H-oxasilolo[4,5-g]indolizine
CID 101356413
(9aR,9bR)-2,2-bis(2,4,6-trimethylphenyl)-6,7,8,9,9a,9b-hexahydro-4H-oxasilolo[5,4-a]indolizine
CID 101356416
(3aS,9aR,9bS)-2,2-bis(2,4,6-trimethylphenyl)-3a,4,6,7,8,9,9a,9b-octahydro-3H-oxasilolo[5,4-a]indolizine
CID 101736819
CID 136748386
CID 136748386
CID 136748387
CID 136748387

Frequently Asked Questions

What is the IUPAC name of (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine?
The IUPAC name of (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine (CID 101356409) is (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine.
What is the SMILES notation for (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine?
The canonical SMILES for (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine is Cc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C[C@@H]3CCN4CCCC[C@@H]4[C@@H]3O2)c(C)c1.
What is the InChIKey of (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine?
The InChIKey is OVLNXQNEYDWACR-JIMJEQGWSA-N. The full InChI is InChI=1S/C28H39NOSi/c1-18-13-20(3)27(21(4)14-18)31(28-22(5)15-19(2)16-23(28)6)17-24-10-12-29-11-8-7-9-25(29)26(24)30-31/h13-16,24-26H,7-12,17H2,1-6H3/t24-,25+,26+/m0/s1.
What are the key properties of (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine?
(3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine has a molecular weight of 433.71 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,10aR,10bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,5,7,8,9,10,10a,10b-decahydrooxasilolo[5,4-a]quinolizine is sourced from PubChem (CID 101356409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).