2-Hydroxy-3-methylbutanoic acid ethyl ester

CAT: 1266-JH918712Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

2441-06-7

Molecular Formula

C7H14O3

Molecular Weight

146.18

Chemical Information

Ethyl 2-hydroxy-3-methylbutanoate

Ethyl 2-hydroxyisovalerate is a carboxylic ester.

CAS Number	2441-06-7
PubChem CID	520125
IUPAC Name	ethyl 2-hydroxy-3-methylbutanoate
Molecular Formula	C7H14O3
Molecular Weight	146.18
XLogP	1.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	109

SMILES

CCOC(=O)C(C(C)C)O

InChI

InChI=1S/C7H14O3/c1-4-10-7(9)6(8)5(2)3/h5-6,8H,4H2,1-3H3

InChIKey

IZRVEUZYBVGCFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2441-06-7

CID: 520125

Formula: C7H14O3

MW: 146.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.18
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	146.094294304
Monoisotopic Mass	146.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH916389	3-BROMO-2-HYDROXY-6-METHYL-BENZOIC ACID, ETHYL ESTER
JH79395	2- (2-Fluorophenyl) -3-methylbutanoic acid
JH917729	3-Thiophenecarboxylic acid, 2- (trimethylstannyl) -, ethyl ester
JH920437	Phenylacetic acid ethyl ester
JH396050	3-Hydroxy-Pyridine-2-Carboxylic Acid Methyl Ester
JH919014	2-oxoglutaric acid 5-ethyl ester
JH919866	2-Butenoic acid, 2-acetyl-3-methyl-, ethyl ester
JH916597	Butanoic acid, 3-methyl-2- (1-methylethyl) -, ethyl ester
JH234901	Succinic acid bis- (2-ethoxy-ethyl ester)
JH914723	(S) -2-AMINOBUTYRIC ACID ETHYL ESTER HYDROCHLORIDE

Catalog	Name
TRC-H946490-2.5G	3-Hydroxy-2-methylbutanoic Acid Ethyl Ester(Mixture of Diastereomers)
TRC-M253975-500MG	3-Mercapto-3-methylbutanoic Acid Ethyl Ester
HBA44432-01	2-Ethyl-3-methylbutanoic acid
FH68075-01	2-Hydroxy-3-methoxybenzoic acid ethyl ester
QAA11252-01	2- (Ethyl carboxy) -3-methylbutanoic acid
UAA88937	2-Ethyl-2-methylbutanoic acid
TRC-H941428-250MG	3-Hydroxy-2,2-dimethylbutyric Acid Ethyl Ester
sc-322554	3-Hydroxy-cyclobutanecarboxylic acid ethyl ester
OR1004667-01	2-Benzyloxycarbonylamino-3-hydroxy-propionic acid ethyl ester
425945-01	3-Hydroxy-2,2,4-trimethylvaleric Acid Ethyl Ester