methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate

C8H14O4 — CID 11105849

IUPACmethyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@H](O)[C@@H](C)O1
InChIInChI=1S/C8H14O4/c1-5-7(9)3-6(12-5)4-8(10)11-2/h5-7,9H,3-4H2,1-2H3/t5-,6-,7+/m1/s1
InChIKeyJEECSZMLPJNGNN-QYNIQEEDSA-N
MW174.20 g/mol
LogP0.09
Rot. Bonds2

About methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate

methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate (PubChem CID 11105849) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
PubChem CID11105849
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@H](O)[C@@H](C)O1
InChIInChI=1S/C8H14O4/c1-5-7(9)3-6(12-5)4-8(10)11-2/h5-7,9H,3-4H2,1-2H3/t5-,6-,7+/m1/s1
InChIKeyJEECSZMLPJNGNN-QYNIQEEDSA-N
XLogP0.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate 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

methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate
CID 143247703
methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate
CID 10987731
methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
methyl 2-[(2R,4S,5R)-5-ethyl-4-iodooxolan-2-yl]acetate
CID 10870235
methyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
CID 85404971
methyl 2-(6-methyl-4-phosphanylmorpholin-2-yl)acetate
CID 20714261
methyl 2-[(2S,3aR,4R,7aR)-4-amino-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]acetate
CID 124709450
methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate
CID 162397869
[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9308
2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid
CID 131034574

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate (CID 11105849) is methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate is COC(=O)C[C@H]1C[C@H](O)[C@@H](C)O1.
What is the InChIKey of methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate?
The InChIKey is JEECSZMLPJNGNN-QYNIQEEDSA-N. The full InChI is InChI=1S/C8H14O4/c1-5-7(9)3-6(12-5)4-8(10)11-2/h5-7,9H,3-4H2,1-2H3/t5-,6-,7+/m1/s1.
What are the key properties of methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate?
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate has a molecular weight of 174.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate is sourced from PubChem (CID 11105849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).