ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate

C11H18O4 — CID 10375945

IUPACethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate
SMILESCCOC(=O)CC1COC(=O)[C@H](CC)C1
InChIInChI=1S/C11H18O4/c1-3-9-5-8(7-15-11(9)13)6-10(12)14-4-2/h8-9H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyAACHQYPUUSDUQJ-YGPZHTELSA-N
MW214.26 g/mol
LogP1.53
Rot. Bonds4

About ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate

ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate (PubChem CID 10375945) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate
PubChem CID10375945
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate
SMILESCCOC(=O)CC1COC(=O)[C@H](CC)C1
InChIInChI=1S/C11H18O4/c1-3-9-5-8(7-15-11(9)13)6-10(12)14-4-2/h8-9H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyAACHQYPUUSDUQJ-YGPZHTELSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate?
The IUPAC name of ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate (CID 10375945) is ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate?
The canonical SMILES for ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate is CCOC(=O)CC1COC(=O)[C@H](CC)C1.
What is the InChIKey of ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate?
The InChIKey is AACHQYPUUSDUQJ-YGPZHTELSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-9-5-8(7-15-11(9)13)6-10(12)14-4-2/h8-9H,3-7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate?
ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate has a molecular weight of 214.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate is sourced from PubChem (CID 10375945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).