2-Ethylpentanoic Acid Methyl Ester

CAT: 0024-sc-496787Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-496787Size:250 mg

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CAS Number

816-16-0

Chemical Information

Methyl 2-ethylpentanoate

CAS Number	816-16-0
PubChem CID	94189
IUPAC Name	methyl 2-ethylpentanoate
Molecular Formula	C8H16O2
Molecular Weight	144.21
XLogP	2.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	99

SMILES

CCCC(CC)C(=O)OC

InChI

InChI=1S/C8H16O2/c1-4-6-7(5-2)8(9)10-3/h7H,4-6H2,1-3H3

InChIKey

IVNZXKXOTJLKHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 816-16-0

CID: 94189

Formula: C8H16O2

MW: 144.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.21
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.4
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-496789	2-Ethylpentanoic Acid Ethyl Ester
sc-496790	2-Ethylpentanoic Acid Ethyl Ester-d5
sc-496785	2-Ethylpentanoic Acid
sc-496786	2-Ethylpentanoic Acid-d5
sc-321791	2-Isocyanooctanoic acid methyl ester
sc-482542	2-Mercaptopropionic Acid Methyl Ester
sc-477905	2-Pentynoic Acid Methyl Ester
sc-352213	2-Benzylacrylic acid methyl ester
sc-209202	2-Hydroxysuccinic Acid Methyl Ester
sc-478000	2-Octadecyleicosanoic Acid Methyl Ester

Catalog	Name
417623-01	2-Ethylpentanoic Acid Methyl Ester
TRC-E818007-50MG	2-Ethylpentanoic Acid Methyl Ester-d3
TRC-E818010-1G	2-Ethylpentanoic Acid Ethyl Ester
417622	2-Ethylpentanoic Acid Ethyl Ester-d5
FB37102-01	2-Benzoylbenzoic acid methyl ester
FM11242-01	2-Methylnicotinic acid methyl ester
419188	2-Tetradecylhexadecanoic Acid Methyl Ester
419123-01	2-Propylhexanoic Acid Methyl Ester
279560-01	2-Hydroxysuccinic acid methyl ester
260903-01	2-Aminonicotinic acid methyl ester