diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate

C15H26O5Si — CID 10757668

IUPACdiethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1C(O[Si](C)(C)C)C=CC[C@H]1C(=O)OCC
InChIInChI=1S/C15H26O5Si/c1-6-18-14(16)11-9-8-10-12(20-21(3,4)5)13(11)15(17)19-7-2/h8,10-13H,6-7,9H2,1-5H3/t11-,12?,13+/m1/s1
InChIKeyYVIYIBHJXYAAOH-YPHAAILGSA-N
MW314.45 g/mol
LogP2.53
Rot. Bonds6

About diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate

diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate (PubChem CID 10757668) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
PubChem CID10757668
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Namediethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1C(O[Si](C)(C)C)C=CC[C@H]1C(=O)OCC
InChIInChI=1S/C15H26O5Si/c1-6-18-14(16)11-9-8-10-12(20-21(3,4)5)13(11)15(17)19-7-2/h8,10-13H,6-7,9H2,1-5H3/t11-,12?,13+/m1/s1
InChIKeyYVIYIBHJXYAAOH-YPHAAILGSA-N
XLogP2.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The IUPAC name of diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate (CID 10757668) is diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate.
What is the SMILES notation for diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The canonical SMILES for diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate is CCOC(=O)[C@@H]1C(O[Si](C)(C)C)C=CC[C@H]1C(=O)OCC.
What is the InChIKey of diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The InChIKey is YVIYIBHJXYAAOH-YPHAAILGSA-N. The full InChI is InChI=1S/C15H26O5Si/c1-6-18-14(16)11-9-8-10-12(20-21(3,4)5)13(11)15(17)19-7-2/h8,10-13H,6-7,9H2,1-5H3/t11-,12?,13+/m1/s1.
What are the key properties of diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate has a molecular weight of 314.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (1R,2S)-3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate is sourced from PubChem (CID 10757668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).