Methyl 2-methylvalerate

CAT: 0024-sc-269436Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-269436Size:25 g

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CAS Number

2177-77-7

Chemical Information

Methyl 2-methylpentanoate

Methyl 2-methylpentanoate is a fatty acid ester.

CAS Number	2177-77-7
PubChem CID	519890
IUPAC Name	methyl 2-methylpentanoate
Molecular Formula	C7H14O2
Molecular Weight	130.18
XLogP	2.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	88

SMILES

CCCC(C)C(=O)OC

InChI

InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3

InChIKey

ZTULNMNIVVMLIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2177-77-7

CID: 519890

Formula: C7H14O2

MW: 130.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.18
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	130.099379685
Monoisotopic Mass	130.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	88.9
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
sc-228529	Methyl 3-methylvalerate
sc-286301A	Methyl L-2-isothiocyanato-4-methylvalerate
sc-295389	Methyl (S) - (-) -2-Isocyanato-4-methylvalerate
sc-295389A	Methyl (S) - (-) -2-Isocyanato-4-methylvalerate
sc-286301	Methyl L-2-isothiocyanato-4-methylvalerate
sc-486716	Butyl 2-Methylvalerate
sc-279791	N-Propyl 2-methylvalerate
sc-269026	Ethyl 2-isocyanato-4-methylvalerate
sc-235005	Ethyl 4-methylvalerate
sc-357305	Calcium 2-keto-4-methylvalerate dihydrate

Catalog	Name
BUP16224-01	Methyl 2-hydroxy-4-methylvalerate
284812-01	Methyl (S) - (-) -2-Isocyanato-4-methylvalerate
OR1022266	Methyl L-2-isothiocyanato-4-methylvalerate
HY-22167R-01	Methyl 2-hydroxy-4-methylvalerate (Standard)
284813-01	Methyl (2S,3S) -2-Isocyanato-3-methylvalerate
abx186702-01	Methyl 2-methyl-2-phenylpropanoate
418652-01	2-Methyl (E) -2-Methyl-2-pentenoate
EDA34172-01	Methyl 2-cyano-2-methyl-2-phenylacetate
OR1045401-01	Methyl 2-methyl-2- (2-nitrophenyl) propanoate
MBS6112821-01	Methyl 2-mercapto-2-methyl Propionate (2-Mercapto-2-methyl-propionic Acid, Methyl Ester)