(2-methoxy-2-oxoethyl) 2-ethylhexanoate

C11H20O4 — CID 13468591

IUPAC(2-methoxy-2-oxoethyl) 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCC(=O)OC
InChIInChI=1S/C11H20O4/c1-4-6-7-9(5-2)11(13)15-8-10(12)14-3/h9H,4-8H2,1-3H3
InChIKeyMJBVXNBGCTYRNU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds7

About (2-methoxy-2-oxoethyl) 2-ethylhexanoate

(2-methoxy-2-oxoethyl) 2-ethylhexanoate (PubChem CID 13468591) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-ethylhexanoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-ethylhexanoate
PubChem CID13468591
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2-methoxy-2-oxoethyl) 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCC(=O)OC
InChIInChI=1S/C11H20O4/c1-4-6-7-9(5-2)11(13)15-8-10(12)14-3/h9H,4-8H2,1-3H3
InChIKeyMJBVXNBGCTYRNU-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methoxy-2-oxoethyl) 2-ethylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
pentan-3-yl 2-ethylhexanoate
CID 22213614
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
2-(2-ethyloctanoyloxy)acetic acid
CID 87270647
[2-[(2R)-2-ethylhexanoyl]oxy-3-[(2S)-2-ethylhexanoyl]oxypropyl] (2R)-2-ethylhexanoate
CID 73416086
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2,2-dimethylpropyl 2-ethylhexanoate
CID 22213615
2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
2-hydroxyethyl 2-ethylhexanoate
CID 10397600
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
trimethylplumbyl 2-ethylhexanoate
CID 16683317

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-ethylhexanoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-ethylhexanoate (CID 13468591) is (2-methoxy-2-oxoethyl) 2-ethylhexanoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-ethylhexanoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-ethylhexanoate is CCCCC(CC)C(=O)OCC(=O)OC.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-ethylhexanoate?
The InChIKey is MJBVXNBGCTYRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-6-7-9(5-2)11(13)15-8-10(12)14-3/h9H,4-8H2,1-3H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-ethylhexanoate?
(2-methoxy-2-oxoethyl) 2-ethylhexanoate has a molecular weight of 216.28 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-ethylhexanoate is sourced from PubChem (CID 13468591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).