ethyl 5-(2-methylpropoxy)-4-oxopentanoate

C11H20O4 — CID 103484854

IUPACethyl 5-(2-methylpropoxy)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COCC(C)C
InChIInChI=1S/C11H20O4/c1-4-15-11(13)6-5-10(12)8-14-7-9(2)3/h9H,4-8H2,1-3H3
InChIKeyOAWUIPGQGODFKY-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.57
Rot. Bonds8

About ethyl 5-(2-methylpropoxy)-4-oxopentanoate

ethyl 5-(2-methylpropoxy)-4-oxopentanoate (PubChem CID 103484854) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 5-(2-methylpropoxy)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(2-methylpropoxy)-4-oxopentanoate
PubChem CID103484854
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 5-(2-methylpropoxy)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COCC(C)C
InChIInChI=1S/C11H20O4/c1-4-15-11(13)6-5-10(12)8-14-7-9(2)3/h9H,4-8H2,1-3H3
InChIKeyOAWUIPGQGODFKY-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-butan-2-yloxy-4-oxopentanoate
CID 103484916
ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate
CID 103484901
1-O-ethyl 4-O-(2-methylbutyl) butanedioate
CID 523525
1-methoxy-3-(2-methylpropoxy)propan-2-one
CID 107507918
ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate
CID 103484892
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
ethyl 5-amino-4-oxohexanoate
CID 76602913
2-methylpropyl 2-ethoxyacetate
CID 45108349
1-O-ethyl 4-O-(2-ethylbutyl) butanedioate
CID 91702414
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate
CID 103484141
ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate
CID 103484893

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylpropoxy)-4-oxopentanoate?
The IUPAC name of ethyl 5-(2-methylpropoxy)-4-oxopentanoate (CID 103484854) is ethyl 5-(2-methylpropoxy)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(2-methylpropoxy)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(2-methylpropoxy)-4-oxopentanoate is CCOC(=O)CCC(=O)COCC(C)C.
What is the InChIKey of ethyl 5-(2-methylpropoxy)-4-oxopentanoate?
The InChIKey is OAWUIPGQGODFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-15-11(13)6-5-10(12)8-14-7-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 5-(2-methylpropoxy)-4-oxopentanoate?
ethyl 5-(2-methylpropoxy)-4-oxopentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylpropoxy)-4-oxopentanoate is sourced from PubChem (CID 103484854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).