1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate

C15H20O4 — CID 134391463

IUPAC1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate
SMILESCC[C@@H]1CC(C(C)OC(=O)c2ccccc2)C(O)O1
InChIInChI=1S/C15H20O4/c1-3-12-9-13(15(17)19-12)10(2)18-14(16)11-7-5-4-6-8-11/h4-8,10,12-13,15,17H,3,9H2,1-2H3/t10?,12-,13?,15?/m1/s1
InChIKeyNXPCYYDPVMWCDS-LOXWSRGHSA-N
MW264.32 g/mol
LogP2.37
Rot. Bonds4

About 1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate

1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate (PubChem CID 134391463) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate.

Molecular Properties

Compound Name1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate
PubChem CID134391463
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate
SMILESCC[C@@H]1CC(C(C)OC(=O)c2ccccc2)C(O)O1
InChIInChI=1S/C15H20O4/c1-3-12-9-13(15(17)19-12)10(2)18-14(16)11-7-5-4-6-8-11/h4-8,10,12-13,15,17H,3,9H2,1-2H3/t10?,12-,13?,15?/m1/s1
InChIKeyNXPCYYDPVMWCDS-LOXWSRGHSA-N
XLogP2.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-[(2R,3S)-3-phenyloxiran-2-yl]ethyl] benzoate
CID 135903539
[(2S)-1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-2-yl] benzoate
CID 92858858
(5-benzoyloxy-4-propan-2-ylheptan-3-yl) benzoate
CID 126566908
[(2S)-pentan-2-yl] benzoate
CID 101019298
(6-benzoyloxy-2,8-dimethylnonan-4-yl) benzoate
CID 66727849
[(2R,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1-benzoyloxyethyl]oxan-2-yl]methyl benzoate
CID 10747502
1-[(4R)-3,4-dihydroxy-5-methoxy-4-methyloxolan-2-yl]ethyl benzoate
CID 138108810
bis[1-(oxiran-2-yl)ethyl] benzene-1,4-dicarboxylate
CID 142714032
[(3S,4S)-4-hydroxyhexan-3-yl] benzoate
CID 101228669
1-ethylsulfanylethyl benzoate
CID 132576408
[(2S,3S,4R,5R)-4-benzoyloxy-2-[(1R)-1-benzoyloxy-2-hydroxyethyl]-5-hydroxyoxolan-3-yl] benzoate
CID 90941981
[(1R,2S)-2-benzoyloxy-1,2-diethoxyethyl] benzoate
CID 92529627

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate?
The IUPAC name of 1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate (CID 134391463) is 1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate.
What is the SMILES notation for 1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate?
The canonical SMILES for 1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate is CC[C@@H]1CC(C(C)OC(=O)c2ccccc2)C(O)O1.
What is the InChIKey of 1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate?
The InChIKey is NXPCYYDPVMWCDS-LOXWSRGHSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-12-9-13(15(17)19-12)10(2)18-14(16)11-7-5-4-6-8-11/h4-8,10,12-13,15,17H,3,9H2,1-2H3/t10?,12-,13?,15?/m1/s1.
What are the key properties of 1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate?
1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate has a molecular weight of 264.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-ethyl-2-hydroxyoxolan-3-yl]ethyl benzoate is sourced from PubChem (CID 134391463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).