2-methoxy-2-methylpropanoate

C5H9O3- — CID 21283494

IUPAC2-methoxy-2-methylpropanoate
SMILESCOC(C)(C)C(=O)[O-]
InChIInChI=1S/C5H10O3/c1-5(2,8-3)4(6)7/h1-3H3,(H,6,7)/p-1
InChIKeyBKBZFJRHYSCZQA-UHFFFAOYSA-M
MW117.12 g/mol
LogP-0.84
Rot. Bonds2

About 2-methoxy-2-methylpropanoate

2-methoxy-2-methylpropanoate (PubChem CID 21283494) has the molecular formula C5H9O3- and a molecular weight of 117.12 g/mol. Its IUPAC name is 2-methoxy-2-methylpropanoate.

Molecular Properties

Compound Name2-methoxy-2-methylpropanoate
PubChem CID21283494
Molecular FormulaC5H9O3-
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name2-methoxy-2-methylpropanoate
SMILESCOC(C)(C)C(=O)[O-]
InChIInChI=1S/C5H10O3/c1-5(2,8-3)4(6)7/h1-3H3,(H,6,7)/p-1
InChIKeyBKBZFJRHYSCZQA-UHFFFAOYSA-M
XLogP-0.84
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropanoate?
The IUPAC name of 2-methoxy-2-methylpropanoate (CID 21283494) is 2-methoxy-2-methylpropanoate.
What is the SMILES notation for 2-methoxy-2-methylpropanoate?
The canonical SMILES for 2-methoxy-2-methylpropanoate is COC(C)(C)C(=O)[O-].
What is the InChIKey of 2-methoxy-2-methylpropanoate?
The InChIKey is BKBZFJRHYSCZQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O3/c1-5(2,8-3)4(6)7/h1-3H3,(H,6,7)/p-1.
What are the key properties of 2-methoxy-2-methylpropanoate?
2-methoxy-2-methylpropanoate has a molecular weight of 117.12 g/mol, XLogP of -0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropanoate is sourced from PubChem (CID 21283494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).