methyl 2-methylbutanoate;methyl 2-methylpropanoate

C11H22O4 — CID 175395072

IUPACmethyl 2-methylbutanoate;methyl 2-methylpropanoate
SMILESCCC(C)C(=O)OC.COC(=O)C(C)C
InChIInChI=1S/C6H12O2.C5H10O2/c1-4-5(2)6(7)8-3;1-4(2)5(6)7-3/h5H,4H2,1-3H3;4H,1-3H3
InChIKeyLCIOWLUGLRAOOM-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.02
Rot. Bonds3

About methyl 2-methylbutanoate;methyl 2-methylpropanoate

methyl 2-methylbutanoate;methyl 2-methylpropanoate (PubChem CID 175395072) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is methyl 2-methylbutanoate;methyl 2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-methylbutanoate;methyl 2-methylpropanoate
PubChem CID175395072
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Namemethyl 2-methylbutanoate;methyl 2-methylpropanoate
SMILESCCC(C)C(=O)OC.COC(=O)C(C)C
InChIInChI=1S/C6H12O2.C5H10O2/c1-4-5(2)6(7)8-3;1-4(2)5(6)7-3/h5H,4H2,1-3H3;4H,1-3H3
InChIKeyLCIOWLUGLRAOOM-UHFFFAOYSA-N
XLogP2.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
methyl 2-methylpropanoate;titanium
CID 174633551
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid
CID 157438192
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
methyl 5-methyl-2-(2-methylpropanoyl)-4-oxoheptanoate
CID 165473841
methyl 2-methylbutanoate;3-oxatricyclo[3.2.1.02,4]octane
CID 90693172
ethane;ethyl 2-methylbutanoate
CID 144747106
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
methyl 2-methyl-3-(2-methylpentan-3-ylamino)propanoate
CID 61469517

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylbutanoate;methyl 2-methylpropanoate?
The IUPAC name of methyl 2-methylbutanoate;methyl 2-methylpropanoate (CID 175395072) is methyl 2-methylbutanoate;methyl 2-methylpropanoate.
What is the SMILES notation for methyl 2-methylbutanoate;methyl 2-methylpropanoate?
The canonical SMILES for methyl 2-methylbutanoate;methyl 2-methylpropanoate is CCC(C)C(=O)OC.COC(=O)C(C)C.
What is the InChIKey of methyl 2-methylbutanoate;methyl 2-methylpropanoate?
The InChIKey is LCIOWLUGLRAOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C5H10O2/c1-4-5(2)6(7)8-3;1-4(2)5(6)7-3/h5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of methyl 2-methylbutanoate;methyl 2-methylpropanoate?
methyl 2-methylbutanoate;methyl 2-methylpropanoate has a molecular weight of 218.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylbutanoate;methyl 2-methylpropanoate is sourced from PubChem (CID 175395072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).