2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate

C12H22O2Si — CID 59001139

IUPAC2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)C1CC=CCC1
InChIInChI=1S/C12H22O2Si/c1-15(2,3)10-9-14-12(13)11-7-5-4-6-8-11/h4-5,11H,6-10H2,1-3H3
InChIKeyAOUVYLOYIJVUAN-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.22
Rot. Bonds4

About 2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate

2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate (PubChem CID 59001139) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate
PubChem CID59001139
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)C1CC=CCC1
InChIInChI=1S/C12H22O2Si/c1-15(2,3)10-9-14-12(13)11-7-5-4-6-8-11/h4-5,11H,6-10H2,1-3H3
InChIKeyAOUVYLOYIJVUAN-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate (CID 59001139) is 2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate is C[Si](C)(C)CCOC(=O)C1CC=CCC1.
What is the InChIKey of 2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate?
The InChIKey is AOUVYLOYIJVUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-15(2,3)10-9-14-12(13)11-7-5-4-6-8-11/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate?
2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate has a molecular weight of 226.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 59001139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).