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

C12H22O3 — CID 14417472

IUPACmethyl (2R)-2-[(2R,3S,5S)-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-/m0/s1
InChIKeyYEGBEMVFDHTZBX-VLEAKVRGSA-N
MW214.30 g/mol
LogP2.25
Rot. Bonds3

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

methyl (2R)-2-[(2R,3S,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate (PubChem CID 14417472) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl (2R)-2-[(2R,3S,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R,3S,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate
PubChem CID14417472
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl (2R)-2-[(2R,3S,5S)-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-/m0/s1
InChIKeyYEGBEMVFDHTZBX-VLEAKVRGSA-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,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate with MolForge

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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,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(2R,3S,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate (CID 14417472) is methyl (2R)-2-[(2R,3S,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2R,3S,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(2R,3S,5S)-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,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate?
The InChIKey is YEGBEMVFDHTZBX-VLEAKVRGSA-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-/m0/s1.
What are the key properties of methyl (2R)-2-[(2R,3S,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate?
methyl (2R)-2-[(2R,3S,5S)-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,5S)-5-methyl-3-propan-2-yloxolan-2-yl]propanoate is sourced from PubChem (CID 14417472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).