methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate

C9H16O3 — CID 134900000

IUPACmethyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](C)C(C)O1
InChIInChI=1S/C9H16O3/c1-6-4-8(12-7(6)2)5-9(10)11-3/h6-8H,4-5H2,1-3H3/t6-,7?,8-/m1/s1
InChIKeyCEZGIEOKNFTLGG-OECOWPMFSA-N
MW172.22 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate

methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate (PubChem CID 134900000) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate
PubChem CID134900000
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](C)C(C)O1
InChIInChI=1S/C9H16O3/c1-6-4-8(12-7(6)2)5-9(10)11-3/h6-8H,4-5H2,1-3H3/t6-,7?,8-/m1/s1
InChIKeyCEZGIEOKNFTLGG-OECOWPMFSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2R,4R)-4,5-dimethyloxolan-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

5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-
CID 11084123
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-(-)-
CID 11105597
10-Methyldodecan-4-olide
CID 21778195
(2R)-2-((2R,5S)-5-((2S)-2-Hydroxybutyl)oxolan-2-YL)propanoic acid
CID 11053074
Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone
CID 110667
2(3H)-Furanone, 3-acetyl-5-butyldihydro-
CID 3084764
5-Butyl-4-methyldihydro-2(3H)-furanone, cis-(-)-
CID 11094871

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate (CID 134900000) is methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate is COC(=O)C[C@H]1C[C@@H](C)C(C)O1.
What is the InChIKey of methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate?
The InChIKey is CEZGIEOKNFTLGG-OECOWPMFSA-N. The full InChI is InChI=1S/C9H16O3/c1-6-4-8(12-7(6)2)5-9(10)11-3/h6-8H,4-5H2,1-3H3/t6-,7?,8-/m1/s1.
What are the key properties of methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate?
methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate has a molecular weight of 172.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4R)-4,5-dimethyloxolan-2-yl]acetate is sourced from PubChem (CID 134900000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).