dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate

C13H22O5Si — CID 12031285

IUPACdimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CC=C(O[Si](C)(C)C)C[C@H]1C(=O)OC
InChIInChI=1S/C13H22O5Si/c1-16-12(14)10-7-6-9(18-19(3,4)5)8-11(10)13(15)17-2/h6,10-11H,7-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyOPBMKBSOXXDETG-GHMZBOCLSA-N
MW286.40 g/mol
LogP2.09
Rot. Bonds4

About dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate

dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate (PubChem CID 12031285) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
PubChem CID12031285
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Namedimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CC=C(O[Si](C)(C)C)C[C@H]1C(=O)OC
InChIInChI=1S/C13H22O5Si/c1-16-12(14)10-7-6-9(18-19(3,4)5)8-11(10)13(15)17-2/h6,10-11H,7-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyOPBMKBSOXXDETG-GHMZBOCLSA-N
XLogP2.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate (CID 12031285) is dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate is COC(=O)[C@@H]1CC=C(O[Si](C)(C)C)C[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The InChIKey is OPBMKBSOXXDETG-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-16-12(14)10-7-6-9(18-19(3,4)5)8-11(10)13(15)17-2/h6,10-11H,7-8H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate has a molecular weight of 286.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate is sourced from PubChem (CID 12031285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).