methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate

C11H18O4 — CID 11572044

IUPACmethyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1CCC[C@@H](CC(C)=O)O1
InChIInChI=1S/C11H18O4/c1-8(12)6-9-4-3-5-10(15-9)7-11(13)14-2/h9-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyQYWSNAPJJDFWFB-VHSXEESVSA-N
MW214.26 g/mol
LogP1.47
Rot. Bonds4

About methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate

methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate (PubChem CID 11572044) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate
PubChem CID11572044
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1CCC[C@@H](CC(C)=O)O1
InChIInChI=1S/C11H18O4/c1-8(12)6-9-4-3-5-10(15-9)7-11(13)14-2/h9-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyQYWSNAPJJDFWFB-VHSXEESVSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate (CID 11572044) is methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate is COC(=O)C[C@H]1CCC[C@@H](CC(C)=O)O1.
What is the InChIKey of methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate?
The InChIKey is QYWSNAPJJDFWFB-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18O4/c1-8(12)6-9-4-3-5-10(15-9)7-11(13)14-2/h9-10H,3-7H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate?
methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate has a molecular weight of 214.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate is sourced from PubChem (CID 11572044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).