Methyl 2-hydroxy-3-methylpentanoate

CAT: 0127-OR79019-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR79019-01Size:100 mg

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CAS Number

41654-19-7

MDL Number

MFCD16693886

Purity

96%

Smiles

CCC(C)C(C(=O)OC)O

Chemical Information

Methyl 2-hydroxy-3-methylpentanoate

Methyl 2-hydroxy-3-methylpentanoate has been reported in Annona muricata and Carica papaya with data available.

CAS Number	41654-19-7
PubChem CID	521064
IUPAC Name	methyl 2-hydroxy-3-methylpentanoate
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	111

SMILES

CCC(C)C(C(=O)OC)O

InChI

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

InChIKey

OQXGUAUSWWFHOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41654-19-7

CID: 521064

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	111
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1099814-01	Methyl 3-hydroxy-4-methylpentanoate
OR92626-01	Methyl (2R) -2-hydroxy-4-methylpentanoate
OR1074883-01	Ethyl 2-hydroxy-3-methylpentanoate
OR1013802-01	Methyl 2-Methylpentanoate
OR1099669	Ethyl 3-hydroxy-4-methylpentanoate
OR1004062-01	Isopropyl 2-Hydroxy-4-methylpentanoate
BUP17235	Ethyl 2-hydroxy-4-methylpentanoate
OR1086274-01	1-Methylethyl 3-hydroxy-4-methylpentanoate
OR1084402-01	Tert-butyl 3-hydroxy-4-methylpentanoate
OR84751-01	Methyl 2-bromo-4-methylpentanoate

Catalog	Name
RBA65419-01	Methyl 2-hydroxy-3-methylpentanoate
KCA66594-01	Methyl 3-hydroxy-2-methylpentanoate
TRC-M312765-5G	Methyl 3-Hydroxy-4-methylpentanoate
TRC-B587600-10MG	methyl 2-hydroxy-4-methylpentanoate
YEA20628-01	Methyl 3-amino-2-hydroxy-4-methylpentanoate hydrochloride
RG-M052082-01	Methyl 5-Hydroxy-4-Methylpentanoate
AR-P30732-01	Methyl 2-methylpentanoate
sc-328309	Methyl 2-amino-3-methylpentanoate
FCA90515-01	Methyl 2-chloro-3-methylpentanoate
CEA11569-01	Methyl 2- (2-chloroacetamido) -3-methylpentanoate