ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate

C10H16O4 — CID 10352750

IUPACethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate
SMILESCCOC(=O)[C@H](C)[C@@H]1OC(=O)C[C@H]1C
InChIInChI=1S/C10H16O4/c1-4-13-10(12)7(3)9-6(2)5-8(11)14-9/h6-7,9H,4-5H2,1-3H3/t6-,7-,9-/m1/s1
InChIKeyXKKWOCHHQTZUQS-ZXFLCMHBSA-N
MW200.23 g/mol
LogP1.14
Rot. Bonds3

About ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate

ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate (PubChem CID 10352750) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate
PubChem CID10352750
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate
SMILESCCOC(=O)[C@H](C)[C@@H]1OC(=O)C[C@H]1C
InChIInChI=1S/C10H16O4/c1-4-13-10(12)7(3)9-6(2)5-8(11)14-9/h6-7,9H,4-5H2,1-3H3/t6-,7-,9-/m1/s1
InChIKeyXKKWOCHHQTZUQS-ZXFLCMHBSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate with MolForge

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Related Compounds

[2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate
CID 155198619
(4S,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methyloxolan-2-one
CID 102210599
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036
[(2R,3R)-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 100952681
ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
CID 101339914
ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate
CID 10797593
(4R,5S,6R)-4-hydroxy-5-methyl-6-propan-2-yloxan-2-one
CID 11105821
ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate
CID 21037703
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl (3aS,4S,6aR)-2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-4-carboxylate
CID 11356042
ethyl 2-[(2S,4R,6S)-4-hydroxy-6-methyloxan-2-yl]propanoate
CID 101136322
ethyl 2-(4-oxofuran-2-yl)propanoate
CID 101051849

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate?
The IUPAC name of ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate (CID 10352750) is ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate?
The canonical SMILES for ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate is CCOC(=O)[C@H](C)[C@@H]1OC(=O)C[C@H]1C.
What is the InChIKey of ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate?
The InChIKey is XKKWOCHHQTZUQS-ZXFLCMHBSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-13-10(12)7(3)9-6(2)5-8(11)14-9/h6-7,9H,4-5H2,1-3H3/t6-,7-,9-/m1/s1.
What are the key properties of ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate?
ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate has a molecular weight of 200.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate is sourced from PubChem (CID 10352750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).