(2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol

C20H32O4Si — CID 11210738

About (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol

(2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11210738) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

• Compound Name: (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol
• PubChem CID: 11210738
• Molecular Formula: C20H32O4Si
• Molecular Weight: 364.56 g/mol
• Exact Mass: 364.21
• IUPAC Name: (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol
• SMILES: C[C@H]1[C@@H]([C@@H]2O[C@H](O[Si](C)(C)C(C)(C)C)C=C[C@@H]2O)[C@@H]2C=CC=C[C@H]1O2
• InChI: InChI=1S/C20H32O4Si/c1-13-15-9-7-8-10-16(22-15)18(13)19-14(21)11-12-17(23-19)24-25(5,6)20(2,3)4/h7-19,21H,1-6H3/t13-,14+,15-,16+,17-,18-,19-/m1/s1
• InChIKey: VRMADBXTNUGLDV-RCVYVCHFSA-N
• XLogP: 3.80
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.56
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol?

The IUPAC name of (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol (CID 11210738) is (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol.

What is the SMILES notation for (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol?

The canonical SMILES for (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol is C[C@H]1[C@@H]([C@@H]2O[C@H](O[Si](C)(C)C(C)(C)C)C=C[C@@H]2O)[C@@H]2C=CC=C[C@H]1O2.

What is the InChIKey of (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol?

The InChIKey is VRMADBXTNUGLDV-RCVYVCHFSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-13-15-9-7-8-10-16(22-15)18(13)19-14(21)11-12-17(23-19)24-25(5,6)20(2,3)4/h7-19,21H,1-6H3/t13-,14+,15-,16+,17-,18-,19-/m1/s1.

What are the key properties of (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol?

(2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 364.56 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11210738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).