(3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine

C26H35NOSi — CID 101356414

IUPAC(3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C[C@@H]3CN4CCC[C@@H]4[C@@H]3O2)c(C)c1
InChIInChI=1S/C26H35NOSi/c1-16-10-18(3)25(19(4)11-16)29(26-20(5)12-17(2)13-21(26)6)15-22-14-27-9-7-8-23(27)24(22)28-29/h10-13,22-24H,7-9,14-15H2,1-6H3/t22-,23+,24+/m0/s1
InChIKeyZULVVSNBRIKBQR-RBZQAINGSA-N
MW405.66 g/mol
LogP4.09
Rot. Bonds2

About (3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine

(3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine (PubChem CID 101356414) has the molecular formula C26H35NOSi and a molecular weight of 405.66 g/mol. Its IUPAC name is (3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine.

Molecular Properties

Compound Name(3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine
PubChem CID101356414
Molecular FormulaC26H35NOSi
Molecular Weight405.66 g/mol
Exact Mass405.25
IUPAC Name(3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C[C@@H]3CN4CCC[C@@H]4[C@@H]3O2)c(C)c1
InChIInChI=1S/C26H35NOSi/c1-16-10-18(3)25(19(4)11-16)29(26-20(5)12-17(2)13-21(26)6)15-22-14-27-9-7-8-23(27)24(22)28-29/h10-13,22-24H,7-9,14-15H2,1-6H3/t22-,23+,24+/m0/s1
InChIKeyZULVVSNBRIKBQR-RBZQAINGSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.66
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine?
The IUPAC name of (3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine (CID 101356414) is (3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine.
What is the SMILES notation for (3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine?
The canonical SMILES for (3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine is Cc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C[C@@H]3CN4CCC[C@@H]4[C@@H]3O2)c(C)c1.
What is the InChIKey of (3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine?
The InChIKey is ZULVVSNBRIKBQR-RBZQAINGSA-N. The full InChI is InChI=1S/C26H35NOSi/c1-16-10-18(3)25(19(4)11-16)29(26-20(5)12-17(2)13-21(26)6)15-22-14-27-9-7-8-23(27)24(22)28-29/h10-13,22-24H,7-9,14-15H2,1-6H3/t22-,23+,24+/m0/s1.
What are the key properties of (3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine?
(3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine has a molecular weight of 405.66 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8aR,8bR)-2,2-bis(2,4,6-trimethylphenyl)-3,3a,4,6,7,8,8a,8b-octahydrooxasilolo[5,4-a]pyrrolizine is sourced from PubChem (CID 101356414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).