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

C10H18O3 — CID 14417461

IUPACmethyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate
SMILESCOC(=O)[C@@H](C)[C@]1(C)OCC[C@H]1C
InChIInChI=1S/C10H18O3/c1-7-5-6-13-10(7,3)8(2)9(11)12-4/h7-8H,5-6H2,1-4H3/t7-,8-,10-/m1/s1
InChIKeyWBTNJYCWDBVDGS-NQMVMOMDSA-N
MW186.25 g/mol
LogP1.61
Rot. Bonds2

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

methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate (PubChem CID 14417461) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate
PubChem CID14417461
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate
SMILESCOC(=O)[C@@H](C)[C@]1(C)OCC[C@H]1C
InChIInChI=1S/C10H18O3/c1-7-5-6-13-10(7,3)8(2)9(11)12-4/h7-8H,5-6H2,1-4H3/t7-,8-,10-/m1/s1
InChIKeyWBTNJYCWDBVDGS-NQMVMOMDSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate?
The IUPAC name of methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate (CID 14417461) is methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate is COC(=O)[C@@H](C)[C@]1(C)OCC[C@H]1C.
What is the InChIKey of methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate?
The InChIKey is WBTNJYCWDBVDGS-NQMVMOMDSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-5-6-13-10(7,3)8(2)9(11)12-4/h7-8H,5-6H2,1-4H3/t7-,8-,10-/m1/s1.
What are the key properties of methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate?
methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate has a molecular weight of 186.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R,3R)-2,3-dimethyloxolan-2-yl]propanoate is sourced from PubChem (CID 14417461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).