ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate

C20H34O4Si — CID 139256624

IUPACethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
SMILESCCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@]2(C(C)C)C=C[C@@]1(C)O2
InChIInChI=1S/C20H34O4Si/c1-10-22-17(21)16-15(23-25(8,9)18(4,5)6)13-20(14(2)3)12-11-19(16,7)24-20/h11-12,14H,10,13H2,1-9H3/t19-,20+/m1/s1
InChIKeyGGFSPZTYCJBHMY-UXHICEINSA-N
MW366.57 g/mol
LogP4.97
Rot. Bonds5

About ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate

ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate (PubChem CID 139256624) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate.

Molecular Properties

Compound Nameethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
PubChem CID139256624
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Nameethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
SMILESCCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@]2(C(C)C)C=C[C@@]1(C)O2
InChIInChI=1S/C20H34O4Si/c1-10-22-17(21)16-15(23-25(8,9)18(4,5)6)13-20(14(2)3)12-11-19(16,7)24-20/h11-12,14H,10,13H2,1-9H3/t19-,20+/m1/s1
InChIKeyGGFSPZTYCJBHMY-UXHICEINSA-N
XLogP4.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.97
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 ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 46919257
(4,4-dimethyl-2-oxooxolan-3-yl) (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 135022373
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-propan-2-ylcyclobutene-1-carboxylate
CID 140523836
[(2S)-1-methoxy-1-oxopropan-2-yl] (1S,4S,5R)-5-acetyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 10993578
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one
CID 53468894
[(2S)-1-methoxy-1-oxopropan-2-yl] (1R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 102062234
[(2S)-1-methoxy-1-oxopropan-2-yl] (1S,4R,5S)-5-acetyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 102062236
ethyl (5R)-5-but-3-enyl-4-[[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methoxy]-5-methyl-2-oxofuran-3-carboxylate
CID 122218281

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
The IUPAC name of ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate (CID 139256624) is ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate.
What is the SMILES notation for ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
The canonical SMILES for ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate is CCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@]2(C(C)C)C=C[C@@]1(C)O2.
What is the InChIKey of ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
The InChIKey is GGFSPZTYCJBHMY-UXHICEINSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-10-22-17(21)16-15(23-25(8,9)18(4,5)6)13-20(14(2)3)12-11-19(16,7)24-20/h11-12,14H,10,13H2,1-9H3/t19-,20+/m1/s1.
What are the key properties of ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate has a molecular weight of 366.57 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate is sourced from PubChem (CID 139256624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).