ethyl 2-methoxybutanoate

C7H14O3 — CID 59767959

IUPACethyl 2-methoxybutanoate
SMILESCCOC(=O)C(CC)OC
InChIInChI=1S/C7H14O3/c1-4-6(9-3)7(8)10-5-2/h6H,4-5H2,1-3H3
InChIKeyGLEMXNLSKLWVSW-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.97
Rot. Bonds4

About ethyl 2-methoxybutanoate

ethyl 2-methoxybutanoate (PubChem CID 59767959) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is ethyl 2-methoxybutanoate.

Molecular Properties

Compound Nameethyl 2-methoxybutanoate
PubChem CID59767959
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nameethyl 2-methoxybutanoate
SMILESCCOC(=O)C(CC)OC
InChIInChI=1S/C7H14O3/c1-4-6(9-3)7(8)10-5-2/h6H,4-5H2,1-3H3
InChIKeyGLEMXNLSKLWVSW-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-hydroxy-2-methoxypropanoate
CID 152667160
ethyl 2-iodooxybutanoate
CID 90378528
ethyl 2-(3-methoxypropoxy)butanoate
CID 64661459
2-oxoethyl 2-methoxybutanoate;yttrium
CID 58083925
ethyl 5-methoxy-4-oxoheptanoate
CID 116727981
3-methoxypentan-2-one
CID 58979809
ethyl (E,2R)-2,5-dimethoxypent-4-enoate
CID 124646741
ethyl 2-(3,3-dimethylbutoxy)butanoate
CID 66232205
ethyl 2-(2,3-dihydroxypropoxy)butanoate
CID 174629792
methane;3-methoxypentan-2-one
CID 158529059
5-methoxy-3,4-dimethylhept-3-en-2-one
CID 91349574
methyl 2-methoxybutanoate;2,2,2-trifluoroacetic acid
CID 87814494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxybutanoate?
The IUPAC name of ethyl 2-methoxybutanoate (CID 59767959) is ethyl 2-methoxybutanoate.
What is the SMILES notation for ethyl 2-methoxybutanoate?
The canonical SMILES for ethyl 2-methoxybutanoate is CCOC(=O)C(CC)OC.
What is the InChIKey of ethyl 2-methoxybutanoate?
The InChIKey is GLEMXNLSKLWVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-6(9-3)7(8)10-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-methoxybutanoate?
ethyl 2-methoxybutanoate has a molecular weight of 146.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxybutanoate is sourced from PubChem (CID 59767959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).