trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate

C11H20O2Si — CID 101025728

IUPACtrans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H]1/C=C/[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-5-13-11(12)10-8-9(10)6-7-14(2,3)4/h6-7,9-10H,5,8H2,1-4H3/b7-6+/t9-,10+/m0/s1
InChIKeyCEAXMHKCBQFWPD-LOSXEJPUSA-N
MW212.36 g/mol
LogP2.62
Rot. Bonds4

About trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate

trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate (PubChem CID 101025728) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
PubChem CID101025728
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Nametrans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H]1/C=C/[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-5-13-11(12)10-8-9(10)6-7-14(2,3)4/h6-7,9-10H,5,8H2,1-4H3/b7-6+/t9-,10+/m0/s1
InChIKeyCEAXMHKCBQFWPD-LOSXEJPUSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate (CID 101025728) is trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@@H]1/C=C/[Si](C)(C)C.
What is the InChIKey of trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The InChIKey is CEAXMHKCBQFWPD-LOSXEJPUSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-5-13-11(12)10-8-9(10)6-7-14(2,3)4/h6-7,9-10H,5,8H2,1-4H3/b7-6+/t9-,10+/m0/s1.
What are the key properties of trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate has a molecular weight of 212.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2S)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 101025728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).