ethyl 2-hydroxy-2-methylpropanoate

C6H12O3 — CID 6653

IUPACethyl 2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)O
InChIInChI=1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3
InChIKeyGFUIDHWFLMPAGY-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.32
Rot. Bonds2

About ethyl 2-hydroxy-2-methylpropanoate

ethyl 2-hydroxy-2-methylpropanoate (PubChem CID 6653) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-methylpropanoate
PubChem CID6653
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Nameethyl 2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)O
InChIInChI=1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3
InChIKeyGFUIDHWFLMPAGY-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl Lactate
CID 7344
Butyl Lactate
CID 8738
Methyl Lactate
CID 11040
(L)-ethyl lactate
CID 92831
Propyl lactate, (+-)-
CID 92821
Methyl alpha-hydroxyisobutyrate
CID 75024
Butyl lactate, (S)-
CID 6999977
2-Methylpropyl 2-hydroxypropanoate
CID 92814
methyl (S)-lactate
CID 94386
Ethyl 2-hydroxy-2-methylbutyrate
CID 101536
Propanoic acid, 2-hydroxy-, 1-methylpropyl ester
CID 86741
Isopropyl Lactate
CID 61160

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-methylpropanoate?
The IUPAC name of ethyl 2-hydroxy-2-methylpropanoate (CID 6653) is ethyl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for ethyl 2-hydroxy-2-methylpropanoate is CCOC(=O)C(C)(C)O.
What is the InChIKey of ethyl 2-hydroxy-2-methylpropanoate?
The InChIKey is GFUIDHWFLMPAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-methylpropanoate?
ethyl 2-hydroxy-2-methylpropanoate has a molecular weight of 132.16 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 6653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).