2-ethoxy-3-methylbutanoate

C7H13O3- — CID 23183641

IUPAC2-ethoxy-3-methylbutanoate
SMILESCCOC(C(=O)[O-])C(C)C
InChIInChI=1S/C7H14O3/c1-4-10-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/p-1
InChIKeyCXAZWYHOXPIWOA-UHFFFAOYSA-M
MW145.18 g/mol
LogP-0.20
Rot. Bonds4

About 2-ethoxy-3-methylbutanoate

2-ethoxy-3-methylbutanoate (PubChem CID 23183641) has the molecular formula C7H13O3- and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-ethoxy-3-methylbutanoate.

Molecular Properties

Compound Name2-ethoxy-3-methylbutanoate
PubChem CID23183641
Molecular FormulaC7H13O3-
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-ethoxy-3-methylbutanoate
SMILESCCOC(C(=O)[O-])C(C)C
InChIInChI=1S/C7H14O3/c1-4-10-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/p-1
InChIKeyCXAZWYHOXPIWOA-UHFFFAOYSA-M
XLogP-0.20
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-hydroxy-3-methylbutanoate
CID 520125
Ethyl 3-methyl-2-oxobutyrate
CID 88406
Ethyl 2-ethoxypropanoate
CID 247453
ethyl (2S)-2-hydroxy-3-methylbutanoate
CID 13639968
2-Methoxy-3-methylbutanoic acid
CID 22362635
3-Methyl-2-(2-methylpropoxy)butanoic acid
CID 13500360
Diisopropyl glycolide
CID 22889128
2-Ethoxy-3-methylbutanoic acid
CID 23183642
methyl (2R)-2-ethoxypropanoate
CID 86649704
methyl (2S)-2-ethoxypropanoate
CID 89341376
Methyl 2-methoxy-3-trifluoromethyl-4,4,4-trifluorobutanoate
CID 13526767
ethyl (2S)-2-methoxypropanoate
CID 5702567

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylbutanoate?
The IUPAC name of 2-ethoxy-3-methylbutanoate (CID 23183641) is 2-ethoxy-3-methylbutanoate.
What is the SMILES notation for 2-ethoxy-3-methylbutanoate?
The canonical SMILES for 2-ethoxy-3-methylbutanoate is CCOC(C(=O)[O-])C(C)C.
What is the InChIKey of 2-ethoxy-3-methylbutanoate?
The InChIKey is CXAZWYHOXPIWOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O3/c1-4-10-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/p-1.
What are the key properties of 2-ethoxy-3-methylbutanoate?
2-ethoxy-3-methylbutanoate has a molecular weight of 145.18 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methylbutanoate is sourced from PubChem (CID 23183641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).