ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate

C17H22O5 — CID 10086471

IUPACethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate
SMILESCCOC(=O)CC[C@@H](OCc1ccccc1)[C@H]1CCC(=O)O1
InChIInChI=1S/C17H22O5/c1-2-20-16(18)10-8-14(15-9-11-17(19)22-15)21-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t14-,15-/m1/s1
InChIKeyDWDSOKOAXCECOQ-HUUCEWRRSA-N
MW306.36 g/mol
LogP2.62
Rot. Bonds8

About ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate

ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate (PubChem CID 10086471) has the molecular formula C17H22O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate.

Molecular Properties

Compound Nameethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate
PubChem CID10086471
Molecular FormulaC17H22O5
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Nameethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate
SMILESCCOC(=O)CC[C@@H](OCc1ccccc1)[C@H]1CCC(=O)O1
InChIInChI=1S/C17H22O5/c1-2-20-16(18)10-8-14(15-9-11-17(19)22-15)21-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t14-,15-/m1/s1
InChIKeyDWDSOKOAXCECOQ-HUUCEWRRSA-N
XLogP2.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(5-oxooxolan-2-yl)propanoate
CID 167309507
(5S)-5-[(1R,2R)-2-methyl-1-phenylmethoxybutyl]oxolan-2-one
CID 11139931
1-O,1-O-dibenzyl 3-O-ethyl propane-1,1,3-tricarboxylate
CID 101179268
diethyl 3-phenylmethoxypentanedioate
CID 73212048
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
(5S)-5-[(1R)-1-iodo-2-phenylmethoxyethyl]oxolan-2-one
CID 11382390
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate
CID 13482645
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
benzyl 5-[hydroxy-(5-oxooxolan-2-yl)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
CID 11798686
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate?
The IUPAC name of ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate (CID 10086471) is ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate.
What is the SMILES notation for ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate?
The canonical SMILES for ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate is CCOC(=O)CC[C@@H](OCc1ccccc1)[C@H]1CCC(=O)O1.
What is the InChIKey of ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate?
The InChIKey is DWDSOKOAXCECOQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H22O5/c1-2-20-16(18)10-8-14(15-9-11-17(19)22-15)21-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate?
ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate has a molecular weight of 306.36 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-[(2R)-5-oxooxolan-2-yl]-4-phenylmethoxybutanoate is sourced from PubChem (CID 10086471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).