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

C15H24O4Si — CID 15256091

IUPACmethyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
SMILESCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C15H24O4Si/c1-15(2,3)20(5,6)19-12-9-10-7-8-11(18-10)13(12)14(16)17-4/h7-8,10-11H,9H2,1-6H3/t10-,11+/m1/s1
InChIKeyLDWARQKNSDVYAF-MNOVXSKESA-N
MW296.44 g/mol
LogP3.16
Rot. Bonds3

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

methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate (PubChem CID 15256091) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
PubChem CID15256091
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Namemethyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
SMILESCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C15H24O4Si/c1-15(2,3)20(5,6)19-12-9-10-7-8-11(18-10)13(12)14(16)17-4/h7-8,10-11H,9H2,1-6H3/t10-,11+/m1/s1
InChIKeyLDWARQKNSDVYAF-MNOVXSKESA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.16
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 methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate 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

(Trimethylsilyloxy)cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
CID 12405273
Diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15093060
diethyl (1R,4S,5S)-8-oxabicyclo[3.2.1]octa-2,6-diene-2,4-dicarboxylate
CID 134916449
ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate
CID 11448683
dimethyl (3R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexa-1,4-diene-1,2-dicarboxylate
CID 21668237
[(E,2S)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] (E,5S)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxyhex-2-enoate
CID 58599701
2-Methoxycarbonyl-6-trimethylsilyloxycyclohexa-1,4-diene-1-carboxylic acid
CID 67705738
[6-[(2-Methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] 5-[3-[tert-butyl(dimethyl)silyl]oxybutanoyloxy]hex-2-enoate
CID 72967965
[(2S)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] (5S)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxyhex-2-enoate
CID 91046523
(1R,10R)-3-[tert-butyl(dimethyl)silyl]oxy-6,11-dioxatricyclo[7.2.1.04,10]dodeca-3,9(12)-dien-5-one
CID 10709958
Ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate
CID 10924034
methyl (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate
CID 11086777

Frequently Asked Questions

What is the IUPAC name of methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
The IUPAC name of methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate (CID 15256091) is methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate.
What is the SMILES notation for methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
The canonical SMILES for methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate is COC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@H]2C=C[C@@H]1O2.
What is the InChIKey of methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
The InChIKey is LDWARQKNSDVYAF-MNOVXSKESA-N. The full InChI is InChI=1S/C15H24O4Si/c1-15(2,3)20(5,6)19-12-9-10-7-8-11(18-10)13(12)14(16)17-4/h7-8,10-11H,9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate is sourced from PubChem (CID 15256091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).