ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate

C12H20O3 — CID 11521342

IUPACethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate
SMILESC=CC[C@@H]1CCC[C@H](CC(=O)OCC)O1
InChIInChI=1S/C12H20O3/c1-3-6-10-7-5-8-11(15-10)9-12(13)14-4-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m1/s1
InChIKeyFVXMFAPHAAPSDI-GHMZBOCLSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds5

About ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate

ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate (PubChem CID 11521342) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate
PubChem CID11521342
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate
SMILESC=CC[C@@H]1CCC[C@H](CC(=O)OCC)O1
InChIInChI=1S/C12H20O3/c1-3-6-10-7-5-8-11(15-10)9-12(13)14-4-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m1/s1
InChIKeyFVXMFAPHAAPSDI-GHMZBOCLSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Related Compounds

methyl 2-[(6S)-6-prop-2-enyloxan-2-yl]acetate
CID 59456505
ethyl 2-(4-prop-2-enylcyclohexyl)acetate
CID 89472943
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
CID 78876031
ethyl 2-[(2R)-6-oxooxan-2-yl]acetate
CID 102379302
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate
CID 66591598
ethyl 2-[5-(iodomethyl)-4-methyloxolan-2-yl]acetate
CID 158184945
prop-2-enyl 6-ethoxyoxane-2-carboxylate
CID 121224044
ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate
CID 72956551
ethyl 2-(5,5-dimethyloxepan-2-yl)acetate
CID 134975696
ethyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate;ethyl 2-[(1S,3S)-3-hydroxycyclohexyl]acetate
CID 159851625

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate (CID 11521342) is ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate is C=CC[C@@H]1CCC[C@H](CC(=O)OCC)O1.
What is the InChIKey of ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate?
The InChIKey is FVXMFAPHAAPSDI-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-6-10-7-5-8-11(15-10)9-12(13)14-4-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m1/s1.
What are the key properties of ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate?
ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate has a molecular weight of 212.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate is sourced from PubChem (CID 11521342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).