methyl 2-(hydroxymethyl)-2-methylbutanoate

C7H14O3 — CID 14093550

IUPACmethyl 2-(hydroxymethyl)-2-methylbutanoate
SMILESCCC(C)(CO)C(=O)OC
InChIInChI=1S/C7H14O3/c1-4-7(2,5-8)6(9)10-3/h8H,4-5H2,1-3H3
InChIKeyDLGFEWSAAUSZIJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.57
Rot. Bonds3

About methyl 2-(hydroxymethyl)-2-methylbutanoate

methyl 2-(hydroxymethyl)-2-methylbutanoate (PubChem CID 14093550) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-2-methylbutanoate
PubChem CID14093550
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethyl 2-(hydroxymethyl)-2-methylbutanoate
SMILESCCC(C)(CO)C(=O)OC
InChIInChI=1S/C7H14O3/c1-4-7(2,5-8)6(9)10-3/h8H,4-5H2,1-3H3
InChIKeyDLGFEWSAAUSZIJ-UHFFFAOYSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-2-methylbutanoate?
The IUPAC name of methyl 2-(hydroxymethyl)-2-methylbutanoate (CID 14093550) is methyl 2-(hydroxymethyl)-2-methylbutanoate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-2-methylbutanoate?
The canonical SMILES for methyl 2-(hydroxymethyl)-2-methylbutanoate is CCC(C)(CO)C(=O)OC.
What is the InChIKey of methyl 2-(hydroxymethyl)-2-methylbutanoate?
The InChIKey is DLGFEWSAAUSZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-7(2,5-8)6(9)10-3/h8H,4-5H2,1-3H3.
What are the key properties of methyl 2-(hydroxymethyl)-2-methylbutanoate?
methyl 2-(hydroxymethyl)-2-methylbutanoate has a molecular weight of 146.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-2-methylbutanoate is sourced from PubChem (CID 14093550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).