ethyl (3R)-3-(oxan-2-yloxy)butanoate

C11H20O4 — CID 23240134

IUPACethyl (3R)-3-(oxan-2-yloxy)butanoate
SMILESCCOC(=O)C[C@@H](C)OC1CCCCO1
InChIInChI=1S/C11H20O4/c1-3-13-10(12)8-9(2)15-11-6-4-5-7-14-11/h9,11H,3-8H2,1-2H3/t9-,11?/m1/s1
InChIKeyDJVJRFNGIUBLPC-BFHBGLAWSA-N
MW216.28 g/mol
LogP1.87
Rot. Bonds5

About ethyl (3R)-3-(oxan-2-yloxy)butanoate

ethyl (3R)-3-(oxan-2-yloxy)butanoate (PubChem CID 23240134) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl (3R)-3-(oxan-2-yloxy)butanoate.

Molecular Properties

Compound Nameethyl (3R)-3-(oxan-2-yloxy)butanoate
PubChem CID23240134
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl (3R)-3-(oxan-2-yloxy)butanoate
SMILESCCOC(=O)C[C@@H](C)OC1CCCCO1
InChIInChI=1S/C11H20O4/c1-3-13-10(12)8-9(2)15-11-6-4-5-7-14-11/h9,11H,3-8H2,1-2H3/t9-,11?/m1/s1
InChIKeyDJVJRFNGIUBLPC-BFHBGLAWSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-(tetrahydro-2H-pyran-2-yloxy)butanoate
CID 361165
2-Deoxy-D-ribose 1,3,4-Triacetate
CID 9856496
Methyl (2s)-2-methyl-3-(tetrahydro-2h-pyran-2-yloxy)propionate
CID 11195022
ethyl (3R)-3-(oxan-2-yloxy)-6-oxohexanoate
CID 135001624
Ethyl 4,4,4-trifluoro-3-tetrahydropyranyloxybutyrate
CID 13708886
Ethyl 2,2-difluoro-3-tetrahydropyranyloxypropionate
CID 54421599
Ethyl (2,4-dimethyl-1,3-dioxan-2-yl)acetate
CID 3479085
Ethyl 3-(oxan-2-yloxy)propanoate
CID 11735822
Oxan-2-yl butanoate
CID 14932559
(2S,6S)-2-hexyl-6-methyl-1,3-dioxan-4-one
CID 11127289
methyl 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetate
CID 13800987
1-O-methyl 3-O-(oxan-2-yl) propanedioate
CID 13915228

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(oxan-2-yloxy)butanoate?
The IUPAC name of ethyl (3R)-3-(oxan-2-yloxy)butanoate (CID 23240134) is ethyl (3R)-3-(oxan-2-yloxy)butanoate.
What is the SMILES notation for ethyl (3R)-3-(oxan-2-yloxy)butanoate?
The canonical SMILES for ethyl (3R)-3-(oxan-2-yloxy)butanoate is CCOC(=O)C[C@@H](C)OC1CCCCO1.
What is the InChIKey of ethyl (3R)-3-(oxan-2-yloxy)butanoate?
The InChIKey is DJVJRFNGIUBLPC-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-13-10(12)8-9(2)15-11-6-4-5-7-14-11/h9,11H,3-8H2,1-2H3/t9-,11?/m1/s1.
What are the key properties of ethyl (3R)-3-(oxan-2-yloxy)butanoate?
ethyl (3R)-3-(oxan-2-yloxy)butanoate has a molecular weight of 216.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(oxan-2-yloxy)butanoate is sourced from PubChem (CID 23240134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).