[(2R,4S)-2-methoxyoxan-4-yl] acetate

C8H14O4 — CID 153373300

IUPAC[(2R,4S)-2-methoxyoxan-4-yl] acetate
SMILESCO[C@H]1C[C@@H](OC(C)=O)CCO1
InChIInChI=1S/C8H14O4/c1-6(9)12-7-3-4-11-8(5-7)10-2/h7-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyXCAYCLBKXTZEDQ-JGVFFNPUSA-N
MW174.20 g/mol
LogP0.70
Rot. Bonds2

About [(2R,4S)-2-methoxyoxan-4-yl] acetate

[(2R,4S)-2-methoxyoxan-4-yl] acetate (PubChem CID 153373300) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is [(2R,4S)-2-methoxyoxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,4S)-2-methoxyoxan-4-yl] acetate
PubChem CID153373300
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name[(2R,4S)-2-methoxyoxan-4-yl] acetate
SMILESCO[C@H]1C[C@@H](OC(C)=O)CCO1
InChIInChI=1S/C8H14O4/c1-6(9)12-7-3-4-11-8(5-7)10-2/h7-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyXCAYCLBKXTZEDQ-JGVFFNPUSA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-methoxyoxan-4-yl] acetate?
The IUPAC name of [(2R,4S)-2-methoxyoxan-4-yl] acetate (CID 153373300) is [(2R,4S)-2-methoxyoxan-4-yl] acetate.
What is the SMILES notation for [(2R,4S)-2-methoxyoxan-4-yl] acetate?
The canonical SMILES for [(2R,4S)-2-methoxyoxan-4-yl] acetate is CO[C@H]1C[C@@H](OC(C)=O)CCO1.
What is the InChIKey of [(2R,4S)-2-methoxyoxan-4-yl] acetate?
The InChIKey is XCAYCLBKXTZEDQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(9)12-7-3-4-11-8(5-7)10-2/h7-8H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of [(2R,4S)-2-methoxyoxan-4-yl] acetate?
[(2R,4S)-2-methoxyoxan-4-yl] acetate has a molecular weight of 174.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-methoxyoxan-4-yl] acetate is sourced from PubChem (CID 153373300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).