(8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol

C22H29NO3Si — CID 91392121

IUPAC(8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol
SMILESCC1=C2[C@@H](CO[Si]2(C(C)C)C(C)C)c2c(c(O)n(-c3ccccc3)c2O)C1
InChIInChI=1S/C22H29NO3Si/c1-13(2)27(14(3)4)20-15(5)11-17-19(18(20)12-26-27)22(25)23(21(17)24)16-9-7-6-8-10-16/h6-10,13-14,18,24-25H,11-12H2,1-5H3/t18-/m0/s1
InChIKeyKNLQXARJTNXZIJ-SFHVURJKSA-N
MW383.56 g/mol
LogP5.18
Rot. Bonds3

About (8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol

(8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol (PubChem CID 91392121) has the molecular formula C22H29NO3Si and a molecular weight of 383.56 g/mol. Its IUPAC name is (8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol.

Molecular Properties

Compound Name(8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol
PubChem CID91392121
Molecular FormulaC22H29NO3Si
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Name(8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol
SMILESCC1=C2[C@@H](CO[Si]2(C(C)C)C(C)C)c2c(c(O)n(-c3ccccc3)c2O)C1
InChIInChI=1S/C22H29NO3Si/c1-13(2)27(14(3)4)20-15(5)11-17-19(18(20)12-26-27)22(25)23(21(17)24)16-9-7-6-8-10-16/h6-10,13-14,18,24-25H,11-12H2,1-5H3/t18-/m0/s1
InChIKeyKNLQXARJTNXZIJ-SFHVURJKSA-N
XLogP5.18
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.56
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol?
The IUPAC name of (8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol (CID 91392121) is (8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol.
What is the SMILES notation for (8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol?
The canonical SMILES for (8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol is CC1=C2[C@@H](CO[Si]2(C(C)C)C(C)C)c2c(c(O)n(-c3ccccc3)c2O)C1.
What is the InChIKey of (8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol?
The InChIKey is KNLQXARJTNXZIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29NO3Si/c1-13(2)27(14(3)4)20-15(5)11-17-19(18(20)12-26-27)22(25)23(21(17)24)16-9-7-6-8-10-16/h6-10,13-14,18,24-25H,11-12H2,1-5H3/t18-/m0/s1.
What are the key properties of (8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol?
(8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol has a molecular weight of 383.56 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol is sourced from PubChem (CID 91392121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).