ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate

C10H16O3 — CID 135006951

IUPACethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@@]1(C)O[C@@H]1CC
InChIInChI=1S/C10H16O3/c1-4-8-10(3,13-8)7-6-9(11)12-5-2/h6-8H,4-5H2,1-3H3/b7-6+/t8-,10-/m1/s1
InChIKeyLLFWOSRPYNMTIB-VKXIGREHSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate

ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate (PubChem CID 135006951) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate
PubChem CID135006951
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@@]1(C)O[C@@H]1CC
InChIInChI=1S/C10H16O3/c1-4-8-10(3,13-8)7-6-9(11)12-5-2/h6-8H,4-5H2,1-3H3/b7-6+/t8-,10-/m1/s1
InChIKeyLLFWOSRPYNMTIB-VKXIGREHSA-N
XLogP1.67
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate with MolForge

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Related Compounds

ethyl (E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoate
CID 7336359
(2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one
CID 14692168
2-Heptenoic acid, 4-methyl-2-pentyl ester
CID 91704720
[(1R,2S,6R)-2,6-dimethylcyclohex-3-en-1-yl] (E)-but-2-enoate
CID 130344598
Ethyl 3-(3-methyloxiran-2-yl)prop-2-enoate
CID 4584801
ethyl (E)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoate
CID 7336357
ethyl (E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoate
CID 7336358
ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylprop-2-enoate
CID 10726625
ethyl (E)-3-[(2S,3S)-3-propyloxiran-2-yl]prop-2-enoate
CID 11206194
methyl (E)-3-[(2R)-3,3-dimethyloxiran-2-yl]prop-2-enoate
CID 11378631
ethyl (E)-3-(2-methyloxiran-2-yl)prop-2-enoate
CID 11480572
ethyl (E)-3-[(2R,3S)-2,3-dimethyloxiran-2-yl]prop-2-enoate
CID 11480689

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate (CID 135006951) is ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate is CCOC(=O)/C=C/[C@@]1(C)O[C@@H]1CC.
What is the InChIKey of ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate?
The InChIKey is LLFWOSRPYNMTIB-VKXIGREHSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-8-10(3,13-8)7-6-9(11)12-5-2/h6-8H,4-5H2,1-3H3/b7-6+/t8-,10-/m1/s1.
What are the key properties of ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate?
ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoate is sourced from PubChem (CID 135006951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).