(1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

C17H28O4Si — CID 11163142

IUPAC(1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCO[C@@H]1CC(=O)[C@@H]2[C@H]1[C@@]1(C)C=C[C@]2(O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H28O4Si/c1-15(2,3)22(6,7)21-17-9-8-16(4,20-17)14-12(19-5)10-11(18)13(14)17/h8-9,12-14H,10H2,1-7H3/t12-,13-,14+,16-,17-/m1/s1
InChIKeyWFVGMARTLDLQPM-BDLOOMQFSA-N
MW324.49 g/mol
LogP3.28
Rot. Bonds3

About (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

(1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 11163142) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID11163142
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Name(1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCO[C@@H]1CC(=O)[C@@H]2[C@H]1[C@@]1(C)C=C[C@]2(O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H28O4Si/c1-15(2,3)22(6,7)21-17-9-8-16(4,20-17)14-12(19-5)10-11(18)13(14)17/h8-9,12-14H,10H2,1-7H3/t12-,13-,14+,16-,17-/m1/s1
InChIKeyWFVGMARTLDLQPM-BDLOOMQFSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 11163142) is (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is CO[C@@H]1CC(=O)[C@@H]2[C@H]1[C@@]1(C)C=C[C@]2(O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is WFVGMARTLDLQPM-BDLOOMQFSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-15(2,3)22(6,7)21-17-9-8-16(4,20-17)14-12(19-5)10-11(18)13(14)17/h8-9,12-14H,10H2,1-7H3/t12-,13-,14+,16-,17-/m1/s1.
What are the key properties of (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 324.49 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 11163142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).