ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate

C14H24O3Si — CID 10801879

IUPACethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESC=C1CC=CC(O[Si](C)(C)C)C1(C)C(=O)OCC
InChIInChI=1S/C14H24O3Si/c1-7-16-13(15)14(3)11(2)9-8-10-12(14)17-18(4,5)6/h8,10,12H,2,7,9H2,1,3-6H3
InChIKeyYVQDXSBHUUGAMX-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.29
Rot. Bonds4

About ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate

ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 10801879) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID10801879
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Nameethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESC=C1CC=CC(O[Si](C)(C)C)C1(C)C(=O)OCC
InChIInChI=1S/C14H24O3Si/c1-7-16-13(15)14(3)11(2)9-8-10-12(14)17-18(4,5)6/h8,10,12H,2,7,9H2,1,3-6H3
InChIKeyYVQDXSBHUUGAMX-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 10801879) is ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate is C=C1CC=CC(O[Si](C)(C)C)C1(C)C(=O)OCC.
What is the InChIKey of ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is YVQDXSBHUUGAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-7-16-13(15)14(3)11(2)9-8-10-12(14)17-18(4,5)6/h8,10,12H,2,7,9H2,1,3-6H3.
What are the key properties of ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 268.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-6-methylidene-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 10801879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).