methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate

C8H14O3 — CID 121226767

IUPACmethyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
SMILESCOC(=O)C1C[C@@H](C)O[C@@H]1C
InChIInChI=1S/C8H14O3/c1-5-4-7(6(2)11-5)8(9)10-3/h5-7H,4H2,1-3H3/t5-,6-,7?/m1/s1
InChIKeyLTEQUHVAEQPJQB-CQMSUOBXSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds1

About methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate

methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate (PubChem CID 121226767) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
PubChem CID121226767
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
SMILESCOC(=O)C1C[C@@H](C)O[C@@H]1C
InChIInChI=1S/C8H14O3/c1-5-4-7(6(2)11-5)8(9)10-3/h5-7H,4H2,1-3H3/t5-,6-,7?/m1/s1
InChIKeyLTEQUHVAEQPJQB-CQMSUOBXSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate
CID 124745641
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
(1S,4S)-4-methoxycarbonyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 138633499
methyl (2S,3S)-2-methyl-6-(2-methylpropyl)oxane-3-carboxylate
CID 134899738
1-(2,5-dimethyloxolan-3-yl)butan-1-one
CID 130785463
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
methyl (3R,4S,6R)-3,4-dihydroxy-6-methyloxane-2-carboxylate
CID 145108334
methyl 2,6-dimethylmorpholine-3-carboxylate
CID 110192673
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 140893068

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate?
The IUPAC name of methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate (CID 121226767) is methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate.
What is the SMILES notation for methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate?
The canonical SMILES for methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate is COC(=O)C1C[C@@H](C)O[C@@H]1C.
What is the InChIKey of methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate?
The InChIKey is LTEQUHVAEQPJQB-CQMSUOBXSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-4-7(6(2)11-5)8(9)10-3/h5-7H,4H2,1-3H3/t5-,6-,7?/m1/s1.
What are the key properties of methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate?
methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate is sourced from PubChem (CID 121226767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).