ethyl 2-methoxy-3-(oxan-2-yl)propanoate

C11H20O4 — CID 10727451

IUPACethyl 2-methoxy-3-(oxan-2-yl)propanoate
SMILESCCOC(=O)C(CC1CCCCO1)OC
InChIInChI=1S/C11H20O4/c1-3-14-11(12)10(13-2)8-9-6-4-5-7-15-9/h9-10H,3-8H2,1-2H3
InChIKeyQEXKANAZTGTURM-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.52
Rot. Bonds5

About ethyl 2-methoxy-3-(oxan-2-yl)propanoate

ethyl 2-methoxy-3-(oxan-2-yl)propanoate (PubChem CID 10727451) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-methoxy-3-(oxan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methoxy-3-(oxan-2-yl)propanoate
PubChem CID10727451
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 2-methoxy-3-(oxan-2-yl)propanoate
SMILESCCOC(=O)C(CC1CCCCO1)OC
InChIInChI=1S/C11H20O4/c1-3-14-11(12)10(13-2)8-9-6-4-5-7-15-9/h9-10H,3-8H2,1-2H3
InChIKeyQEXKANAZTGTURM-UHFFFAOYSA-N
XLogP1.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(oxan-2-ylmethyl)-3-oxobutanoate
CID 15304158
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721
ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
CID 135077669
ethyl 2-[2-(oxacyclononadec-2-yl)ethyl]hexanoate
CID 173129378
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
CID 176655691
methyl 2-hydroxy-3-[(2R)-oxolan-2-yl]propanoate
CID 67130803
(2R)-2-amino-3-(oxan-2-yl)propanoic acid
CID 106702780
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride
CID 119777185
ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate
CID 167953805
3-fluoro-4-(oxan-2-yl)butan-2-one
CID 105435805
methyl 3-(oxolan-2-yl)-2-(trifluoromethylsulfonyloxy)propanoate
CID 76786035

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-3-(oxan-2-yl)propanoate?
The IUPAC name of ethyl 2-methoxy-3-(oxan-2-yl)propanoate (CID 10727451) is ethyl 2-methoxy-3-(oxan-2-yl)propanoate.
What is the SMILES notation for ethyl 2-methoxy-3-(oxan-2-yl)propanoate?
The canonical SMILES for ethyl 2-methoxy-3-(oxan-2-yl)propanoate is CCOC(=O)C(CC1CCCCO1)OC.
What is the InChIKey of ethyl 2-methoxy-3-(oxan-2-yl)propanoate?
The InChIKey is QEXKANAZTGTURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-14-11(12)10(13-2)8-9-6-4-5-7-15-9/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-methoxy-3-(oxan-2-yl)propanoate?
ethyl 2-methoxy-3-(oxan-2-yl)propanoate has a molecular weight of 216.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-3-(oxan-2-yl)propanoate is sourced from PubChem (CID 10727451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).