methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate

C8H14O5 — CID 99373377

IUPACmethyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](OC)O[C@@H]1OC
InChIInChI=1S/C8H14O5/c1-10-6-4-5(7(9)11-2)8(12-3)13-6/h5-6,8H,4H2,1-3H3/t5-,6+,8+/m1/s1
InChIKeyKOTZIJSZRBWTCM-CHKWXVPMSA-N
MW190.19 g/mol
LogP0.14
Rot. Bonds3

About methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate

methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate (PubChem CID 99373377) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate
PubChem CID99373377
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](OC)O[C@@H]1OC
InChIInChI=1S/C8H14O5/c1-10-6-4-5(7(9)11-2)8(12-3)13-6/h5-6,8H,4H2,1-3H3/t5-,6+,8+/m1/s1
InChIKeyKOTZIJSZRBWTCM-CHKWXVPMSA-N
XLogP0.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate
CID 91695968
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate
CID 165353445
methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
CID 121226767
(1S,4S)-4-methoxycarbonyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 138633499
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 140893068
methyl (1R,2S,4R,5S,6R)-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate
CID 11355719

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate?
The IUPAC name of methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate (CID 99373377) is methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate.
What is the SMILES notation for methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate?
The canonical SMILES for methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate is COC(=O)[C@H]1C[C@@H](OC)O[C@@H]1OC.
What is the InChIKey of methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate?
The InChIKey is KOTZIJSZRBWTCM-CHKWXVPMSA-N. The full InChI is InChI=1S/C8H14O5/c1-10-6-4-5(7(9)11-2)8(12-3)13-6/h5-6,8H,4H2,1-3H3/t5-,6+,8+/m1/s1.
What are the key properties of methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate?
methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate has a molecular weight of 190.19 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate is sourced from PubChem (CID 99373377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).