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

C20H34O4Si — CID 101206856

IUPAC(2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol
SMILESC[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]2CC=CC[C@@H]1O2
InChIInChI=1S/C20H34O4Si/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/h7-8,11-19,21H,9-10H2,1-6H3/t13-,14+,15-,16+,17-,18-,19-/m0/s1
InChIKeyPOPAZKSSAZXZTA-DWQYQCALSA-N
MW366.57 g/mol
LogP4.02
Rot. Bonds3

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

(2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol (PubChem CID 101206856) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is (2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol
PubChem CID101206856
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name(2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol
SMILESC[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]2CC=CC[C@@H]1O2
InChIInChI=1S/C20H34O4Si/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/h7-8,11-19,21H,9-10H2,1-6H3/t13-,14+,15-,16+,17-,18-,19-/m0/s1
InChIKeyPOPAZKSSAZXZTA-DWQYQCALSA-N
XLogP4.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol (CID 101206856) is (2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-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]2CC=CC[C@@H]1O2.
What is the InChIKey of (2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is POPAZKSSAZXZTA-DWQYQCALSA-N. The full InChI is InChI=1S/C20H34O4Si/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/h7-8,11-19,21H,9-10H2,1-6H3/t13-,14+,15-,16+,17-,18-,19-/m0/s1.
What are the key properties of (2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol?
(2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 366.57 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 101206856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).