methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate

C9H16O3 — CID 134900002

IUPACmethyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@]1(C)OCC[C@H]1C
InChIInChI=1S/C9H16O3/c1-7-4-5-12-9(7,2)6-8(10)11-3/h7H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKeyZQTPQTGCCFDHKJ-APPZFPTMSA-N
MW172.22 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate

methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate (PubChem CID 134900002) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate
PubChem CID134900002
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@]1(C)OCC[C@H]1C
InChIInChI=1S/C9H16O3/c1-7-4-5-12-9(7,2)6-8(10)11-3/h7H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKeyZQTPQTGCCFDHKJ-APPZFPTMSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2S,3R)-2,3-dimethyloxolan-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-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate (CID 134900002) is methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate is COC(=O)C[C@]1(C)OCC[C@H]1C.
What is the InChIKey of methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate?
The InChIKey is ZQTPQTGCCFDHKJ-APPZFPTMSA-N. The full InChI is InChI=1S/C9H16O3/c1-7-4-5-12-9(7,2)6-8(10)11-3/h7H,4-6H2,1-3H3/t7-,9+/m1/s1.
What are the key properties of methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate?
methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate has a molecular weight of 172.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate is sourced from PubChem (CID 134900002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).