(3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione

C19H30O5Si — CID 71469480

IUPAC(3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione
SMILESCC1=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]3(O)C(=O)OC[C@@]3(C)[C@@H]2CC1=O
InChIInChI=1S/C19H30O5Si/c1-11-12-8-15(24-25(6,7)17(2,3)4)19(22)16(21)23-10-18(19,5)13(12)9-14(11)20/h13,15,22H,8-10H2,1-7H3/t13-,15-,18+,19-/m1/s1
InChIKeyGFJUOLCKXVDLOY-OYYCAODRSA-N
MW366.53 g/mol
LogP2.98
Rot. Bonds2

About (3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione

(3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione (PubChem CID 71469480) has the molecular formula C19H30O5Si and a molecular weight of 366.53 g/mol. Its IUPAC name is (3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione.

Molecular Properties

Compound Name(3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione
PubChem CID71469480
Molecular FormulaC19H30O5Si
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name(3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione
SMILESCC1=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]3(O)C(=O)OC[C@@]3(C)[C@@H]2CC1=O
InChIInChI=1S/C19H30O5Si/c1-11-12-8-15(24-25(6,7)17(2,3)4)19(22)16(21)23-10-18(19,5)13(12)9-14(11)20/h13,15,22H,8-10H2,1-7H3/t13-,15-,18+,19-/m1/s1
InChIKeyGFJUOLCKXVDLOY-OYYCAODRSA-N
XLogP2.98
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione?
The IUPAC name of (3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione (CID 71469480) is (3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione.
What is the SMILES notation for (3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione?
The canonical SMILES for (3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione is CC1=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]3(O)C(=O)OC[C@@]3(C)[C@@H]2CC1=O.
What is the InChIKey of (3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione?
The InChIKey is GFJUOLCKXVDLOY-OYYCAODRSA-N. The full InChI is InChI=1S/C19H30O5Si/c1-11-12-8-15(24-25(6,7)17(2,3)4)19(22)16(21)23-10-18(19,5)13(12)9-14(11)20/h13,15,22H,8-10H2,1-7H3/t13-,15-,18+,19-/m1/s1.
What are the key properties of (3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione?
(3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione has a molecular weight of 366.53 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,8aR,8bR)-4-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-6,8b-dimethyl-4,5,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,7-dione is sourced from PubChem (CID 71469480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).