(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

C14H24O3Si — CID 10659560

IUPAC(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESC[C@@H]1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C14H24O3Si/c1-9-10-7-8-11(16-10)13(12(9)15)17-18(5,6)14(2,3)4/h7-11,13H,1-6H3/t9-,10-,11+,13+/m0/s1
InChIKeyBRXADBPQIBNYAY-MEWQQHAOSA-N
MW268.43 g/mol
LogP2.92
Rot. Bonds2

About (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 10659560) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID10659560
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESC[C@@H]1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C14H24O3Si/c1-9-10-7-8-11(16-10)13(12(9)15)17-18(5,6)14(2,3)4/h7-11,13H,1-6H3/t9-,10-,11+,13+/m0/s1
InChIKeyBRXADBPQIBNYAY-MEWQQHAOSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-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

Related Compounds

(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11242695
(1S,5S)-2-[2-tri(propan-2-yl)silyloxyethyl]-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11393178
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 46919259
(1S,2R,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 101073662
(1R,2S,4R,5S)-2-butyl-4-triethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 101267984
(1R,2S,4R,5S)-2-methoxy-4-propan-2-yl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134970053
(1R,2R,4S,5S)-2-butyl-4-triethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068049
(1S,2R,5S)-1,5-dimethyl-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068294
(1S,5S)-2-tri(propan-2-yl)silyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068295
(2R,4S,5R)-4-butyl-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068311
(2S,4R,5R)-4-butyl-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 135068312
(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10729651

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 10659560) is (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is C[C@@H]1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@@H]1O2.
What is the InChIKey of (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is BRXADBPQIBNYAY-MEWQQHAOSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-9-10-7-8-11(16-10)13(12(9)15)17-18(5,6)14(2,3)4/h7-11,13H,1-6H3/t9-,10-,11+,13+/m0/s1.
What are the key properties of (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
(1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 268.43 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 10659560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).