(1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol

C25H32O3Si — CID 11189032

IUPAC(1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
SMILESC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2C=CO[C@@H](O)[C@@H]21
InChIInChI=1S/C25H32O3Si/c1-18-17-22(21-15-16-27-24(26)23(18)21)28-29(25(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18,21-24,26H,17H2,1-4H3/t18-,21-,22-,23+,24+/m0/s1
InChIKeyFSGKKDOMGDYRJG-OTGYPNLISA-N
MW408.61 g/mol
LogP4.07
Rot. Bonds4

About (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol

(1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol (PubChem CID 11189032) has the molecular formula C25H32O3Si and a molecular weight of 408.61 g/mol. Its IUPAC name is (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol.

Molecular Properties

Compound Name(1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
PubChem CID11189032
Molecular FormulaC25H32O3Si
Molecular Weight408.61 g/mol
Exact Mass408.21
IUPAC Name(1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
SMILESC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2C=CO[C@@H](O)[C@@H]21
InChIInChI=1S/C25H32O3Si/c1-18-17-22(21-15-16-27-24(26)23(18)21)28-29(25(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18,21-24,26H,17H2,1-4H3/t18-,21-,22-,23+,24+/m0/s1
InChIKeyFSGKKDOMGDYRJG-OTGYPNLISA-N
XLogP4.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol?
The IUPAC name of (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol (CID 11189032) is (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol.
What is the SMILES notation for (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol?
The canonical SMILES for (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol is C[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2C=CO[C@@H](O)[C@@H]21.
What is the InChIKey of (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol?
The InChIKey is FSGKKDOMGDYRJG-OTGYPNLISA-N. The full InChI is InChI=1S/C25H32O3Si/c1-18-17-22(21-15-16-27-24(26)23(18)21)28-29(25(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18,21-24,26H,17H2,1-4H3/t18-,21-,22-,23+,24+/m0/s1.
What are the key properties of (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol?
(1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol has a molecular weight of 408.61 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aR,5S,7S,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol is sourced from PubChem (CID 11189032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).