cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate

C16H28O5Si — CID 155931987

IUPACcis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate
SMILESCCO[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1/C=C/[Si](C)(C)C
InChIInChI=1S/C16H28O5Si/c1-7-21-13-11-16(14(17)19-2,15(18)20-3)10-12(13)8-9-22(4,5)6/h8-9,12-13H,7,10-11H2,1-6H3/b9-8+/t12-,13-/m1/s1
InChIKeyZRIOQXRINHROPI-RYYBZQDPSA-N
MW328.48 g/mol
LogP2.57
Rot. Bonds6

About cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate

cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate (PubChem CID 155931987) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate
PubChem CID155931987
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Namecis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate
SMILESCCO[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1/C=C/[Si](C)(C)C
InChIInChI=1S/C16H28O5Si/c1-7-21-13-11-16(14(17)19-2,15(18)20-3)10-12(13)8-9-22(4,5)6/h8-9,12-13H,7,10-11H2,1-6H3/b9-8+/t12-,13-/m1/s1
InChIKeyZRIOQXRINHROPI-RYYBZQDPSA-N
XLogP2.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate?
The IUPAC name of cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate (CID 155931987) is cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate?
The canonical SMILES for cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate is CCO[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1/C=C/[Si](C)(C)C.
What is the InChIKey of cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate?
The InChIKey is ZRIOQXRINHROPI-RYYBZQDPSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-7-21-13-11-16(14(17)19-2,15(18)20-3)10-12(13)8-9-22(4,5)6/h8-9,12-13H,7,10-11H2,1-6H3/b9-8+/t12-,13-/m1/s1.
What are the key properties of cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate?
cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate has a molecular weight of 328.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 155931987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).