ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

C12H22O3Si — CID 15101118

IUPACethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C12H22O3Si/c1-5-14-12(13)10-6-8-11(9-7-10)15-16(2,3)4/h8,10H,5-7,9H2,1-4H3
InChIKeyYTLZLRXTTPBZRD-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.09
Rot. Bonds4

About ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 15101118) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID15101118
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Nameethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C12H22O3Si/c1-5-14-12(13)10-6-8-11(9-7-10)15-16(2,3)4/h8,10H,5-7,9H2,1-4H3
InChIKeyYTLZLRXTTPBZRD-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 15101118) is ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is CCOC(=O)C1CC=C(O[Si](C)(C)C)CC1.
What is the InChIKey of ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is YTLZLRXTTPBZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-5-14-12(13)10-6-8-11(9-7-10)15-16(2,3)4/h8,10H,5-7,9H2,1-4H3.
What are the key properties of ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 242.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 15101118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).