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

C14H26O3Si — CID 140776030

IUPACethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1(CC)CC=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C14H26O3Si/c1-6-14(13(15)16-7-2)10-8-12(9-11-14)17-18(3,4)5/h8H,6-7,9-11H2,1-5H3
InChIKeyRQFMLGFFMKMEOD-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.87
Rot. Bonds5

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

ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 140776030) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID140776030
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nameethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1(CC)CC=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C14H26O3Si/c1-6-14(13(15)16-7-2)10-8-12(9-11-14)17-18(3,4)5/h8H,6-7,9-11H2,1-5H3
InChIKeyRQFMLGFFMKMEOD-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.87
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 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 140776030) is ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is CCOC(=O)C1(CC)CC=C(O[Si](C)(C)C)CC1.
What is the InChIKey of ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is RQFMLGFFMKMEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-6-14(13(15)16-7-2)10-8-12(9-11-14)17-18(3,4)5/h8H,6-7,9-11H2,1-5H3.
What are the key properties of ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 270.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 140776030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).