methyl 2-methoxy-2,3-dimethylbutanoate

C8H16O3 — CID 59972485

IUPACmethyl 2-methoxy-2,3-dimethylbutanoate
SMILESCOC(=O)C(C)(OC)C(C)C
InChIInChI=1S/C8H16O3/c1-6(2)8(3,11-5)7(9)10-4/h6H,1-5H3
InChIKeyARFODHSOYDAMJJ-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.22
Rot. Bonds3

About methyl 2-methoxy-2,3-dimethylbutanoate

methyl 2-methoxy-2,3-dimethylbutanoate (PubChem CID 59972485) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is methyl 2-methoxy-2,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 2-methoxy-2,3-dimethylbutanoate
PubChem CID59972485
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namemethyl 2-methoxy-2,3-dimethylbutanoate
SMILESCOC(=O)C(C)(OC)C(C)C
InChIInChI=1S/C8H16O3/c1-6(2)8(3,11-5)7(9)10-4/h6H,1-5H3
InChIKeyARFODHSOYDAMJJ-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3,4-dimethylpentan-2-one
CID 83225040
dimethyl 2,2-di(propan-2-yl)propanedioate
CID 22899345
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259
dimethyl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 151999350
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
CID 105489493
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
CID 160630630
methyl (2S,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 15609948
methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate
CID 175060753

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2,3-dimethylbutanoate?
The IUPAC name of methyl 2-methoxy-2,3-dimethylbutanoate (CID 59972485) is methyl 2-methoxy-2,3-dimethylbutanoate.
What is the SMILES notation for methyl 2-methoxy-2,3-dimethylbutanoate?
The canonical SMILES for methyl 2-methoxy-2,3-dimethylbutanoate is COC(=O)C(C)(OC)C(C)C.
What is the InChIKey of methyl 2-methoxy-2,3-dimethylbutanoate?
The InChIKey is ARFODHSOYDAMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)8(3,11-5)7(9)10-4/h6H,1-5H3.
What are the key properties of methyl 2-methoxy-2,3-dimethylbutanoate?
methyl 2-methoxy-2,3-dimethylbutanoate has a molecular weight of 160.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2,3-dimethylbutanoate is sourced from PubChem (CID 59972485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).