ethyl (2S)-2-prop-2-enoxypropanoate

C8H14O3 — CID 14743303

IUPACethyl (2S)-2-prop-2-enoxypropanoate
SMILESC=CCO[C@@H](C)C(=O)OCC
InChIInChI=1S/C8H14O3/c1-4-6-11-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3/t7-/m0/s1
InChIKeySQKHGJLWNLPYMB-ZETCQYMHSA-N
MW158.20 g/mol
LogP1.14
Rot. Bonds5

About ethyl (2S)-2-prop-2-enoxypropanoate

ethyl (2S)-2-prop-2-enoxypropanoate (PubChem CID 14743303) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl (2S)-2-prop-2-enoxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-prop-2-enoxypropanoate
PubChem CID14743303
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl (2S)-2-prop-2-enoxypropanoate
SMILESC=CCO[C@@H](C)C(=O)OCC
InChIInChI=1S/C8H14O3/c1-4-6-11-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3/t7-/m0/s1
InChIKeySQKHGJLWNLPYMB-ZETCQYMHSA-N
XLogP1.14
TPSA35.53 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 ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-prop-2-enoxypropanoate?
The IUPAC name of ethyl (2S)-2-prop-2-enoxypropanoate (CID 14743303) is ethyl (2S)-2-prop-2-enoxypropanoate.
What is the SMILES notation for ethyl (2S)-2-prop-2-enoxypropanoate?
The canonical SMILES for ethyl (2S)-2-prop-2-enoxypropanoate is C=CCO[C@@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-prop-2-enoxypropanoate?
The InChIKey is SQKHGJLWNLPYMB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6-11-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-prop-2-enoxypropanoate?
ethyl (2S)-2-prop-2-enoxypropanoate has a molecular weight of 158.20 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-prop-2-enoxypropanoate is sourced from PubChem (CID 14743303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).