methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate

C11H18O5 — CID 10751921

IUPACmethyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate
SMILESCOC(=O)[C@]1(C)OC(=O)C(CO)[C@H](C)[C@H]1C
InChIInChI=1S/C11H18O5/c1-6-7(2)11(3,10(14)15-4)16-9(13)8(6)5-12/h6-8,12H,5H2,1-4H3/t6-,7-,8?,11-/m1/s1
InChIKeyAWPZMHVTSPNQIS-HBLPOYOESA-N
MW230.26 g/mol
LogP0.36
Rot. Bonds2

About methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate

methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate (PubChem CID 10751921) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate
PubChem CID10751921
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namemethyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate
SMILESCOC(=O)[C@]1(C)OC(=O)C(CO)[C@H](C)[C@H]1C
InChIInChI=1S/C11H18O5/c1-6-7(2)11(3,10(14)15-4)16-9(13)8(6)5-12/h6-8,12H,5H2,1-4H3/t6-,7-,8?,11-/m1/s1
InChIKeyAWPZMHVTSPNQIS-HBLPOYOESA-N
XLogP0.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate 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

dimethyl (1S,5R)-5-methyl-7-oxo-6-oxabicyclo[3.2.0]heptane-3,3-dicarboxylate
CID 71730014
methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-carbonyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 176864765
methyl (1S,5R)-3-acetyl-5-methyl-7-oxo-6-oxabicyclo[3.2.0]heptane-3-carboxylate
CID 71730017
methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
CID 134894264
methyl 3,4,4,5,5-pentamethyl-2-oxooxolane-3-carboxylate
CID 59491984
bis(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl) propanedioate
CID 129027488
methyl 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 129184793
methyl 2,3-dimethyloxolane-3-carboxylate
CID 130674269
methyl (3R,6R,7S,7aR)-3-tert-butyl-7-hydroxy-6-(hydroxymethyl)-7-methyl-5-oxo-3,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-7a-carboxylate
CID 46704327
(4,5,5-trimethyl-2-oxooxolan-3-yl) prop-2-enoate
CID 66919881
dimethyl (2R,3S,4S)-2-dodecyl-3,4-dihydroxy-5-oxooxolane-2,3-dicarboxylate
CID 11258157
methyl 1-(hydroxymethyl)-3,3-dimethylcyclobutane-1-carboxylate
CID 115013996

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate?
The IUPAC name of methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate (CID 10751921) is methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate.
What is the SMILES notation for methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate?
The canonical SMILES for methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate is COC(=O)[C@]1(C)OC(=O)C(CO)[C@H](C)[C@H]1C.
What is the InChIKey of methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate?
The InChIKey is AWPZMHVTSPNQIS-HBLPOYOESA-N. The full InChI is InChI=1S/C11H18O5/c1-6-7(2)11(3,10(14)15-4)16-9(13)8(6)5-12/h6-8,12H,5H2,1-4H3/t6-,7-,8?,11-/m1/s1.
What are the key properties of methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate?
methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate is sourced from PubChem (CID 10751921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).