ethyl 2-(2-oxopropyl)hexanoate

C11H20O3 — CID 88935351

IUPACethyl 2-(2-oxopropyl)hexanoate
SMILESCCCCC(CC(C)=O)C(=O)OCC
InChIInChI=1S/C11H20O3/c1-4-6-7-10(8-9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3
InChIKeyYEFMXEAMXGYPAL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.34
Rot. Bonds7

About ethyl 2-(2-oxopropyl)hexanoate

ethyl 2-(2-oxopropyl)hexanoate (PubChem CID 88935351) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-(2-oxopropyl)hexanoate.

Molecular Properties

Compound Nameethyl 2-(2-oxopropyl)hexanoate
PubChem CID88935351
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2-(2-oxopropyl)hexanoate
SMILESCCCCC(CC(C)=O)C(=O)OCC
InChIInChI=1S/C11H20O3/c1-4-6-7-10(8-9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3
InChIKeyYEFMXEAMXGYPAL-UHFFFAOYSA-N
XLogP2.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
alpha-Hexyl-gamma-butyrolactone
CID 86736
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
Ethyl 2-acetyloctanoate
CID 121790
2-Ethylhexyl stearate
CID 13132266
Ethyl 2-ethylhexanoate
CID 102916
3-Methyl-gamma-decalactone
CID 106756
Ethyl 2-acetylhexanoate
CID 95466
Propan-2-yl 2-ethylhexanoate
CID 106701
Ethylhexyl Palmitate
CID 62851

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxopropyl)hexanoate?
The IUPAC name of ethyl 2-(2-oxopropyl)hexanoate (CID 88935351) is ethyl 2-(2-oxopropyl)hexanoate.
What is the SMILES notation for ethyl 2-(2-oxopropyl)hexanoate?
The canonical SMILES for ethyl 2-(2-oxopropyl)hexanoate is CCCCC(CC(C)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-oxopropyl)hexanoate?
The InChIKey is YEFMXEAMXGYPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-6-7-10(8-9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(2-oxopropyl)hexanoate?
ethyl 2-(2-oxopropyl)hexanoate has a molecular weight of 200.28 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxopropyl)hexanoate is sourced from PubChem (CID 88935351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).