[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate

C19H26O4 — CID 14511350

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)O[C@H]2C(=O)OCC2(C)C)cc1
InChIInChI=1S/C19H26O4/c1-12(2)10-14-6-8-15(9-7-14)13(3)17(20)23-16-18(21)22-11-19(16,4)5/h6-9,12-13,16H,10-11H2,1-5H3/t13-,16+/m1/s1
InChIKeyOLCFYKWONGCGSI-CJNGLKHVSA-N
MW318.41 g/mol
LogP3.48
Rot. Bonds5

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 14511350) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID14511350
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)O[C@H]2C(=O)OCC2(C)C)cc1
InChIInChI=1S/C19H26O4/c1-12(2)10-14-6-8-15(9-7-14)13(3)17(20)23-16-18(21)22-11-19(16,4)5/h6-9,12-13,16H,10-11H2,1-5H3/t13-,16+/m1/s1
InChIKeyOLCFYKWONGCGSI-CJNGLKHVSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 9837805
Butyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 9899945
1-Methylethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
CID 11139492
(2-Oxooxolan-3-yl) 4-propan-2-ylbenzoate
CID 16285858
3,7-Dimethyloct-6-enyl 2-(4-methylphenyl)acetate
CID 118720731
Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
CID 170486
Butyric acid, 2-phenyl-, isopropyl ester
CID 10798333
Hydratropic acid, isopropyl ester
CID 10965354
alpha-Phenyltetrahydrofuranone-2-gamma-carboxylic acid
CID 99776
3-Ethyl-3-phenyloxolan-2-one
CID 19986
2,3-Dihydroxypropyl I+--methyl-4-(2-methylpropyl)benzeneacetate
CID 13175019
1,3-Bis(nitrooxy)propan-2-yl 2-(4-isobutylphenyl)propanoate
CID 44219621

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate (CID 14511350) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc([C@@H](C)C(=O)O[C@H]2C(=O)OCC2(C)C)cc1.
What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is OLCFYKWONGCGSI-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H26O4/c1-12(2)10-14-6-8-15(9-7-14)13(3)17(20)23-16-18(21)22-11-19(16,4)5/h6-9,12-13,16H,10-11H2,1-5H3/t13-,16+/m1/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 318.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 14511350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).