ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate

C12H22O3Si — CID 10900814

IUPACethyl 2-trimethylsilyloxycyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(O[Si](C)(C)C)CCCC1
InChIInChI=1S/C12H22O3Si/c1-5-14-12(13)10-8-6-7-9-11(10)15-16(2,3)4/h5-9H2,1-4H3
InChIKeyQAPHLKKACJJGMA-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.23
Rot. Bonds4

About ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate

ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate (PubChem CID 10900814) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-trimethylsilyloxycyclohexene-1-carboxylate
PubChem CID10900814
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Nameethyl 2-trimethylsilyloxycyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(O[Si](C)(C)C)CCCC1
InChIInChI=1S/C12H22O3Si/c1-5-14-12(13)10-8-6-7-9-11(10)15-16(2,3)4/h5-9H2,1-4H3
InChIKeyQAPHLKKACJJGMA-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-methylcyclohex-1-ene-1-carboxylate
CID 14890156
Ethyl 2-hydroxycyclohex-1-ene-1-carboxylate
CID 54695815
Methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate
CID 11117369
Ethyl 2-acetyloxycyclohexene-1-carboxylate
CID 15275619
Dipropan-2-yl cyclohexene-1,2-dicarboxylate
CID 347763
Methyl 2-[(trimethylsilyl)oxy]cyclohex-1-ene-1-carboxylate
CID 13813189
methyl 2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohexene-1-carboxylate
CID 14924820
methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate
CID 14924821
2-Ethoxycarbonylcyclohexen-1-olate
CID 100929678
Potassium 2-ethoxycarbonylcyclohexen-1-olate
CID 134890034
2-Methoxycarbonylcyclohexen-1-olate
CID 135047937
2-Trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate
CID 155932574

Frequently Asked Questions

What is the IUPAC name of ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate (CID 10900814) is ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate is CCOC(=O)C1=C(O[Si](C)(C)C)CCCC1.
What is the InChIKey of ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate?
The InChIKey is QAPHLKKACJJGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-5-14-12(13)10-8-6-7-9-11(10)15-16(2,3)4/h5-9H2,1-4H3.
What are the key properties of ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate?
ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate has a molecular weight of 242.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-trimethylsilyloxycyclohexene-1-carboxylate is sourced from PubChem (CID 10900814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).