ethyl 4-[(2R)-oxiran-2-yl]butanoate

C8H14O3 — CID 10607030

IUPACethyl 4-[(2R)-oxiran-2-yl]butanoate
SMILESCCOC(=O)CCC[C@@H]1CO1
InChIInChI=1S/C8H14O3/c1-2-10-8(9)5-3-4-7-6-11-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyIMJURUKQBKWFLX-SSDOTTSWSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds5

About ethyl 4-[(2R)-oxiran-2-yl]butanoate

ethyl 4-[(2R)-oxiran-2-yl]butanoate (PubChem CID 10607030) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl 4-[(2R)-oxiran-2-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2R)-oxiran-2-yl]butanoate
PubChem CID10607030
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl 4-[(2R)-oxiran-2-yl]butanoate
SMILESCCOC(=O)CCC[C@@H]1CO1
InChIInChI=1S/C8H14O3/c1-2-10-8(9)5-3-4-7-6-11-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyIMJURUKQBKWFLX-SSDOTTSWSA-N
XLogP1.12
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexyl 7-(oxiran-2-yl)heptanoate
CID 170189676
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
diethyl hexanedioate
CID 160747628
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806
ethyl 4-[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]butanoate
CID 24749107
diethyl icosanedioate
CID 5058538
2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate
CID 176908538
ethyl 3-[(2S)-morpholin-2-yl]propanoate
CID 118409650
ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
ethyl 4-piperidin-1-ium-4-ylbutanoate
CID 27282174
tert-butyl 9-(oxiran-2-yl)nonanoate
CID 121288864
ethyl 4-piperidin-4-ylbutanoate
CID 10631848

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-oxiran-2-yl]butanoate?
The IUPAC name of ethyl 4-[(2R)-oxiran-2-yl]butanoate (CID 10607030) is ethyl 4-[(2R)-oxiran-2-yl]butanoate.
What is the SMILES notation for ethyl 4-[(2R)-oxiran-2-yl]butanoate?
The canonical SMILES for ethyl 4-[(2R)-oxiran-2-yl]butanoate is CCOC(=O)CCC[C@@H]1CO1.
What is the InChIKey of ethyl 4-[(2R)-oxiran-2-yl]butanoate?
The InChIKey is IMJURUKQBKWFLX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-10-8(9)5-3-4-7-6-11-7/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of ethyl 4-[(2R)-oxiran-2-yl]butanoate?
ethyl 4-[(2R)-oxiran-2-yl]butanoate has a molecular weight of 158.20 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R)-oxiran-2-yl]butanoate is sourced from PubChem (CID 10607030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).