ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate

C15H24O2 — CID 177491564

IUPACethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate
SMILESC=CCC1CCC(C(=O)OCC)C(C)=C1CC
InChIInChI=1S/C15H24O2/c1-5-8-12-9-10-14(15(16)17-7-3)11(4)13(12)6-2/h5,12,14H,1,6-10H2,2-4H3
InChIKeyGOMNVTRWRPAZRS-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.88
Rot. Bonds5

About ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate

ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate (PubChem CID 177491564) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate
PubChem CID177491564
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nameethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate
SMILESC=CCC1CCC(C(=O)OCC)C(C)=C1CC
InChIInChI=1S/C15H24O2/c1-5-8-12-9-10-14(15(16)17-7-3)11(4)13(12)6-2/h5,12,14H,1,6-10H2,2-4H3
InChIKeyGOMNVTRWRPAZRS-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-methylpropyl)-2-oxocyclopentane-1-carboxylate
CID 117070605
ethyl 3-ethyl-2-methyl-4-(2-phenylethynyl)cyclohex-2-ene-1-carboxylate
CID 11185554
ethyl 3-but-3-enyl-2-oxocyclohexane-1-carboxylate
CID 14611061
ethyl (1S)-2-methylidenecyclobutane-1-carboxylate
CID 66915598
1-O-tert-butyl 2-O-ethyl (2S,4R)-5-oxo-4-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 5287387
diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate
CID 92950874
ethyl 2-(4-prop-2-enylcyclohexyl)acetate
CID 89472943
trans-ethyl (1R,4R)-4-methyl-2-oxocyclohexane-1-carboxylate
CID 854154
ethyl 2,2-dimethyl-3-prop-2-enylcyclopropane-1-carboxylate
CID 588084
1-O-tert-butyl 2-O-ethyl 5-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 66750521
ethyl 5-prop-2-enyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 3834162
1-O-tert-butyl 2-O-ethyl (2R,5R)-5-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 59828299

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate (CID 177491564) is ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate is C=CCC1CCC(C(=O)OCC)C(C)=C1CC.
What is the InChIKey of ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate?
The InChIKey is GOMNVTRWRPAZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-8-12-9-10-14(15(16)17-7-3)11(4)13(12)6-2/h5,12,14H,1,6-10H2,2-4H3.
What are the key properties of ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate?
ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate has a molecular weight of 236.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-methyl-4-prop-2-enylcyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 177491564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).