methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate

C10H16O3S — CID 135056431

IUPACmethyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate
SMILESCCC[C@]1(CC(=O)OC)SCCC1=O
InChIInChI=1S/C10H16O3S/c1-3-5-10(7-9(12)13-2)8(11)4-6-14-10/h3-7H2,1-2H3/t10-/m1/s1
InChIKeyUHBNVQPPRRREJV-SNVBAGLBSA-N
MW216.30 g/mol
LogP1.79
Rot. Bonds4

About methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate

methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate (PubChem CID 135056431) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate
PubChem CID135056431
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Namemethyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate
SMILESCCC[C@]1(CC(=O)OC)SCCC1=O
InChIInChI=1S/C10H16O3S/c1-3-5-10(7-9(12)13-2)8(11)4-6-14-10/h3-7H2,1-2H3/t10-/m1/s1
InChIKeyUHBNVQPPRRREJV-SNVBAGLBSA-N
XLogP1.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2R)-3-oxo-2-propylthiolan-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

Related Compounds

methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate
CID 135015792
methyl 2-[(2S)-3-oxo-2-propylthiolan-2-yl]acetate
CID 135016374
methyl 2-[(2R)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate
CID 135055432
Methyl 3-(2-methyl-3-oxothiolan-2-yl)propanoate
CID 76764561
Ethyl 4-oxo-2-propylthiolane-3-carboxylate
CID 13442800
Methyl 1-(3-tert-butylsulfanyl-2-oxopropyl)cyclopentane-1-carboxylate
CID 15035416
Methyl 5-tert-butylsulfanyl-2-ethyl-4-oxopentanoate
CID 18947580
Methyl 5-(t-butylthio)-2,2-diethyl-4-oxopentanoate
CID 18947584
Methyl 4-ethyl-3-oxothiolane-2-carboxylate
CID 21262188
2-Ethylhexyl thiolane-2-carboxylate
CID 57596273
methyl (3S)-5-methyl-3-(2-methylsulfanylethyl)-4-oxohexanoate
CID 58032074
Methyl 5-methyl-3-(2-methylsulfanylethyl)-4-oxohexanoate
CID 58226652

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate (CID 135056431) is methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate is CCC[C@]1(CC(=O)OC)SCCC1=O.
What is the InChIKey of methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate?
The InChIKey is UHBNVQPPRRREJV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O3S/c1-3-5-10(7-9(12)13-2)8(11)4-6-14-10/h3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate?
methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate has a molecular weight of 216.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate is sourced from PubChem (CID 135056431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).