ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate

C11H18O4 — CID 135077669

IUPACethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
SMILESCCOC(=O)[C@@H](CC=O)C[C@@H]1CCCO1
InChIInChI=1S/C11H18O4/c1-2-14-11(13)9(5-6-12)8-10-4-3-7-15-10/h6,9-10H,2-5,7-8H2,1H3/t9-,10-/m0/s1
InChIKeyRTNROPOYYCZMNW-UWVGGRQHSA-N
MW214.26 g/mol
LogP1.32
Rot. Bonds6

About ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate

ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate (PubChem CID 135077669) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate.

Molecular Properties

Compound Nameethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
PubChem CID135077669
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
SMILESCCOC(=O)[C@@H](CC=O)C[C@@H]1CCCO1
InChIInChI=1S/C11H18O4/c1-2-14-11(13)9(5-6-12)8-10-4-3-7-15-10/h6,9-10H,2-5,7-8H2,1H3/t9-,10-/m0/s1
InChIKeyRTNROPOYYCZMNW-UWVGGRQHSA-N
XLogP1.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721
ethyl 2-(oxan-2-ylmethyl)-3-oxobutanoate
CID 15304158
ethyl 2-methoxy-3-(oxan-2-yl)propanoate
CID 10727451
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 170452725
ethyl 3-methyl-2-(oxolan-2-ylmethylamino)but-3-enoate
CID 114784517
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
CID 78876031
ethyl 2-[2-(oxacyclononadec-2-yl)ethyl]hexanoate
CID 173129378
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
methyl 2-hydroxy-3-[(2R)-oxolan-2-yl]propanoate
CID 67130803
ethyl 6-amino-3,4,7-trimethyl-5-oxo-2-(oxolan-2-ylmethyl)nonanoate
CID 91484828
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate?
The IUPAC name of ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate (CID 135077669) is ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate.
What is the SMILES notation for ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate?
The canonical SMILES for ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate is CCOC(=O)[C@@H](CC=O)C[C@@H]1CCCO1.
What is the InChIKey of ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate?
The InChIKey is RTNROPOYYCZMNW-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-14-11(13)9(5-6-12)8-10-4-3-7-15-10/h6,9-10H,2-5,7-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate?
ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate has a molecular weight of 214.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate is sourced from PubChem (CID 135077669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).