ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate

C12H20O3 — CID 139683070

IUPACethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate
SMILESCCCC=CC1OC1(CC)C(=O)OCC
InChIInChI=1S/C12H20O3/c1-4-7-8-9-10-12(5-2,15-10)11(13)14-6-3/h8-10H,4-7H2,1-3H3
InChIKeyGEUHAWFYVNCKGT-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds6

About ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate

ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate (PubChem CID 139683070) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate
PubChem CID139683070
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate
SMILESCCCC=CC1OC1(CC)C(=O)OCC
InChIInChI=1S/C12H20O3/c1-4-7-8-9-10-12(5-2,15-10)11(13)14-6-3/h8-10H,4-7H2,1-3H3
InChIKeyGEUHAWFYVNCKGT-UHFFFAOYSA-N
XLogP2.45
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxiranecarboxylic acid, 3-methyl-3-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethenyl]-, methyl ester
CID 106951
Methyl 7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12414263
Methyl alpha ionone glycidate
CID 5472296
ethyl (2S,3R)-3-[(E)-prop-1-enyl]oxirane-2-carboxylate
CID 10820809
Tert-butyl 7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12488874
Oxiranecarboxylic acid, 3-methyl-3-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethenyl]-, ethyl ester
CID 22726415
Diethyl 3,6-dihydro-2H-pyran-2,2-dicarboxylate
CID 556968
methyl 2-methyl-3-[(E)-prop-1-enyl]oxirane-2-carboxylate
CID 131243860
Methyl 6-deuterio-7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12414264
Methyl 4-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12488876
[(Z,1R)-1-[(2S,3S)-3-formyloxiran-2-yl]-4-prop-2-enoxybut-2-enyl] acetate
CID 25210041
Methyl 2,6-dideuterio-7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 134996809

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate?
The IUPAC name of ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate (CID 139683070) is ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate?
The canonical SMILES for ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate is CCCC=CC1OC1(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate?
The InChIKey is GEUHAWFYVNCKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-7-8-9-10-12(5-2,15-10)11(13)14-6-3/h8-10H,4-7H2,1-3H3.
What are the key properties of ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate?
ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-pent-1-enyloxirane-2-carboxylate is sourced from PubChem (CID 139683070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).