ethyl 2-[(2R)-6-oxooxan-2-yl]acetate

C9H14O4 — CID 102379302

IUPACethyl 2-[(2R)-6-oxooxan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCCC(=O)O1
InChIInChI=1S/C9H14O4/c1-2-12-9(11)6-7-4-3-5-8(10)13-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyHWALWUNWHFUOTF-SSDOTTSWSA-N
MW186.21 g/mol
LogP1.04
Rot. Bonds3

About ethyl 2-[(2R)-6-oxooxan-2-yl]acetate

ethyl 2-[(2R)-6-oxooxan-2-yl]acetate (PubChem CID 102379302) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 2-[(2R)-6-oxooxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-6-oxooxan-2-yl]acetate
PubChem CID102379302
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethyl 2-[(2R)-6-oxooxan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCCC(=O)O1
InChIInChI=1S/C9H14O4/c1-2-12-9(11)6-7-4-3-5-8(10)13-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyHWALWUNWHFUOTF-SSDOTTSWSA-N
XLogP1.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
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2-[(2S)-7-oxooxepan-2-yl]ethyl acetate
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ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate
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16-ethyl-oxacyclohexadecan-2-one
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(9R)-9-ethyloxonan-2-one
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ethyl 2-[(2R,6S)-6-prop-2-enyloxan-2-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-6-oxooxan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-6-oxooxan-2-yl]acetate (CID 102379302) is ethyl 2-[(2R)-6-oxooxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-6-oxooxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-6-oxooxan-2-yl]acetate is CCOC(=O)C[C@H]1CCCC(=O)O1.
What is the InChIKey of ethyl 2-[(2R)-6-oxooxan-2-yl]acetate?
The InChIKey is HWALWUNWHFUOTF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14O4/c1-2-12-9(11)6-7-4-3-5-8(10)13-7/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of ethyl 2-[(2R)-6-oxooxan-2-yl]acetate?
ethyl 2-[(2R)-6-oxooxan-2-yl]acetate has a molecular weight of 186.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-6-oxooxan-2-yl]acetate is sourced from PubChem (CID 102379302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).