ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate

C12H24O3Si — CID 141498306

IUPACethyl 1-trimethylsilyloxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C12H24O3Si/c1-5-14-11(13)12(15-16(2,3)4)9-7-6-8-10-12/h5-10H2,1-4H3
InChIKeyRGYYAWNEYDKRTR-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.10
Rot. Bonds4

About ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate

ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate (PubChem CID 141498306) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-trimethylsilyloxycyclohexane-1-carboxylate
PubChem CID141498306
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nameethyl 1-trimethylsilyloxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C12H24O3Si/c1-5-14-11(13)12(15-16(2,3)4)9-7-6-8-10-12/h5-10H2,1-4H3
InChIKeyRGYYAWNEYDKRTR-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.10
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-trimethylsilyloxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate (CID 141498306) is ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate is CCOC(=O)C1(O[Si](C)(C)C)CCCCC1.
What is the InChIKey of ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate?
The InChIKey is RGYYAWNEYDKRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-14-11(13)12(15-16(2,3)4)9-7-6-8-10-12/h5-10H2,1-4H3.
What are the key properties of ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate?
ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate has a molecular weight of 244.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 141498306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).