methyl 2-methylpropanoate

C5H10O2 — CID 11039

IUPACmethyl 2-methylpropanoate
SMILESCOC(=O)C(C)C
InChIInChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChIKeyBHIWKHZACMWKOJ-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.82
Rot. Bonds1

About methyl 2-methylpropanoate

methyl 2-methylpropanoate (PubChem CID 11039) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is methyl 2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-methylpropanoate
PubChem CID11039
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Namemethyl 2-methylpropanoate
SMILESCOC(=O)C(C)C
InChIInChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChIKeyBHIWKHZACMWKOJ-UHFFFAOYSA-N
XLogP0.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylpropanoate?
The IUPAC name of methyl 2-methylpropanoate (CID 11039) is methyl 2-methylpropanoate.
What is the SMILES notation for methyl 2-methylpropanoate?
The canonical SMILES for methyl 2-methylpropanoate is COC(=O)C(C)C.
What is the InChIKey of methyl 2-methylpropanoate?
The InChIKey is BHIWKHZACMWKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3.
What are the key properties of methyl 2-methylpropanoate?
methyl 2-methylpropanoate has a molecular weight of 102.13 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylpropanoate is sourced from PubChem (CID 11039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).