ethyl 5-methoxy-2,5-dimethylhexanoate

C11H22O3 — CID 154290351

IUPACethyl 5-methoxy-2,5-dimethylhexanoate
SMILESCCOC(=O)C(C)CCC(C)(C)OC
InChIInChI=1S/C11H22O3/c1-6-14-10(12)9(2)7-8-11(3,4)13-5/h9H,6-8H2,1-5H3
InChIKeyGEGJVGCADTUMFG-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds6

About ethyl 5-methoxy-2,5-dimethylhexanoate

ethyl 5-methoxy-2,5-dimethylhexanoate (PubChem CID 154290351) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is ethyl 5-methoxy-2,5-dimethylhexanoate.

Molecular Properties

Compound Nameethyl 5-methoxy-2,5-dimethylhexanoate
PubChem CID154290351
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameethyl 5-methoxy-2,5-dimethylhexanoate
SMILESCCOC(=O)C(C)CCC(C)(C)OC
InChIInChI=1S/C11H22O3/c1-6-14-10(12)9(2)7-8-11(3,4)13-5/h9H,6-8H2,1-5H3
InChIKeyGEGJVGCADTUMFG-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate
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ethyl (2R)-4-(2,2-dimethylpropanoylamino)-2-methylbutanoate
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ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate
CID 102977138
ethyl 5-chloro-2-methyl-5-oxopentanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2,5-dimethylhexanoate?
The IUPAC name of ethyl 5-methoxy-2,5-dimethylhexanoate (CID 154290351) is ethyl 5-methoxy-2,5-dimethylhexanoate.
What is the SMILES notation for ethyl 5-methoxy-2,5-dimethylhexanoate?
The canonical SMILES for ethyl 5-methoxy-2,5-dimethylhexanoate is CCOC(=O)C(C)CCC(C)(C)OC.
What is the InChIKey of ethyl 5-methoxy-2,5-dimethylhexanoate?
The InChIKey is GEGJVGCADTUMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-14-10(12)9(2)7-8-11(3,4)13-5/h9H,6-8H2,1-5H3.
What are the key properties of ethyl 5-methoxy-2,5-dimethylhexanoate?
ethyl 5-methoxy-2,5-dimethylhexanoate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2,5-dimethylhexanoate is sourced from PubChem (CID 154290351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).