methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate

C12H22O3 — CID 14417473

IUPACmethyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H]1O[C@H](C)C[C@H]1C(C)C
InChIInChI=1S/C12H22O3/c1-7(2)10-6-8(3)15-11(10)9(4)12(13)14-5/h7-11H,6H2,1-5H3/t8-,9-,10+,11+/m1/s1
InChIKeyYEGBEMVFDHTZBX-ZNSHCXBVSA-N
MW214.30 g/mol
LogP2.25
Rot. Bonds3

About methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate

methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate (PubChem CID 14417473) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate
PubChem CID14417473
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H]1O[C@H](C)C[C@H]1C(C)C
InChIInChI=1S/C12H22O3/c1-7(2)10-6-8(3)15-11(10)9(4)12(13)14-5/h7-11H,6H2,1-5H3/t8-,9-,10+,11+/m1/s1
InChIKeyYEGBEMVFDHTZBX-ZNSHCXBVSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate 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

5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-
CID 11084123
1,3-Diethyl 2-cyclopentylpropanedioate
CID 249269
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-(-)-
CID 11105597
10-Methyldodecan-4-olide
CID 21778195
(2R)-2-((2R,5S)-5-((2S)-2-Hydroxybutyl)oxolan-2-YL)propanoic acid
CID 11053074
Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone
CID 110667
2(3H)-Furanone, 3-acetyl-5-butyldihydro-
CID 3084764

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate (CID 14417473) is methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate is COC(=O)[C@H](C)[C@@H]1O[C@H](C)C[C@H]1C(C)C.
What is the InChIKey of methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate?
The InChIKey is YEGBEMVFDHTZBX-ZNSHCXBVSA-N. The full InChI is InChI=1S/C12H22O3/c1-7(2)10-6-8(3)15-11(10)9(4)12(13)14-5/h7-11H,6H2,1-5H3/t8-,9-,10+,11+/m1/s1.
What are the key properties of methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate?
methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate has a molecular weight of 214.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate is sourced from PubChem (CID 14417473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).