ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate

C18H34O3Si — CID 10925446

IUPACethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate
SMILESCCOC(=O)C1(C)CC=C(C)CCC1O[Si](CC)(CC)CC
InChIInChI=1S/C18H34O3Si/c1-7-20-17(19)18(6)14-13-15(5)11-12-16(18)21-22(8-2,9-3)10-4/h13,16H,7-12,14H2,1-6H3
InChIKeyFYVSMGUWAAGUNE-UHFFFAOYSA-N
MW326.55 g/mol
LogP5.08
Rot. Bonds7

About ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate

ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate (PubChem CID 10925446) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate
PubChem CID10925446
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate
SMILESCCOC(=O)C1(C)CC=C(C)CCC1O[Si](CC)(CC)CC
InChIInChI=1S/C18H34O3Si/c1-7-20-17(19)18(6)14-13-15(5)11-12-16(18)21-22(8-2,9-3)10-4/h13,16H,7-12,14H2,1-6H3
InChIKeyFYVSMGUWAAGUNE-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1R,2S)-1,3-dimethyl-2-methylsulfanylcyclopent-3-ene-1-carboxylate
CID 10846319
ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
CID 158121003
ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
CID 141101066
diethyl 4-methylcyclohept-3-ene-1,1-dicarboxylate
CID 13423304
ethyl 4-methyl-7-oxo-1-[(E)-4-oxopent-2-enyl]cyclohept-3-ene-1-carboxylate
CID 11033194
diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
CID 143831911
ethyl 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-4H-1,2-oxazole-3-carboxylate
CID 126965212
diethyl 2-cyclohexyl-5,5-dimethyl-4-methylideneoxolane-3,3-dicarboxylate
CID 101161333
ethyl (3aS,8aR)-1-acetyl-8a-hydroxy-6-methyl-3,4,7,8-tetrahydroazulene-3a-carboxylate
CID 101350692
ethyl (1R)-4-(trideuteriomethyl)cyclohex-3-ene-1-carboxylate
CID 175763412
ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate
CID 57225543
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate?
The IUPAC name of ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate (CID 10925446) is ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate?
The canonical SMILES for ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate is CCOC(=O)C1(C)CC=C(C)CCC1O[Si](CC)(CC)CC.
What is the InChIKey of ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate?
The InChIKey is FYVSMGUWAAGUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-7-20-17(19)18(6)14-13-15(5)11-12-16(18)21-22(8-2,9-3)10-4/h13,16H,7-12,14H2,1-6H3.
What are the key properties of ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate?
ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate has a molecular weight of 326.55 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate is sourced from PubChem (CID 10925446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).