dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate

C14H22O6Si — CID 10686744

IUPACdimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)O[C@H](C)C[C@@H]12
InChIInChI=1S/C14H22O6Si/c1-8-7-9-10(12(15)17-2)11(13(16)18-3)14(9,19-8)20-21(4,5)6/h8-9H,7H2,1-6H3/t8-,9+,14-/m1/s1
InChIKeyRESXHPZSXCUKBG-TVLCNXBWSA-N
MW314.41 g/mol
LogP1.62
Rot. Bonds4

About dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate

dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate (PubChem CID 10686744) has the molecular formula C14H22O6Si and a molecular weight of 314.41 g/mol. Its IUPAC name is dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate
PubChem CID10686744
Molecular FormulaC14H22O6Si
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Namedimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)O[C@H](C)C[C@@H]12
InChIInChI=1S/C14H22O6Si/c1-8-7-9-10(12(15)17-2)11(13(16)18-3)14(9,19-8)20-21(4,5)6/h8-9H,7H2,1-6H3/t8-,9+,14-/m1/s1
InChIKeyRESXHPZSXCUKBG-TVLCNXBWSA-N
XLogP1.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate?
The IUPAC name of dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate (CID 10686744) is dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate.
What is the SMILES notation for dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate?
The canonical SMILES for dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)O[C@H](C)C[C@@H]12.
What is the InChIKey of dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate?
The InChIKey is RESXHPZSXCUKBG-TVLCNXBWSA-N. The full InChI is InChI=1S/C14H22O6Si/c1-8-7-9-10(12(15)17-2)11(13(16)18-3)14(9,19-8)20-21(4,5)6/h8-9H,7H2,1-6H3/t8-,9+,14-/m1/s1.
What are the key properties of dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate?
dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate has a molecular weight of 314.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,3R,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate is sourced from PubChem (CID 10686744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).