2-Ethylpentanoic Acid Ethyl Ester

CAT: 0024-sc-496789Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-496789Size:250 mg

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CAS Number

43164-26-7

Chemical Information

Ethyl 2-ethylpentanoate

CAS Number	43164-26-7
PubChem CID	12772298
IUPAC Name	ethyl 2-ethylpentanoate
Molecular Formula	C9H18O2
Molecular Weight	158.24
XLogP	2.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	110

SMILES

CCCC(CC)C(=O)OCC

InChI

InChI=1S/C9H18O2/c1-4-7-8(5-2)9(10)11-6-3/h8H,4-7H2,1-3H3

InChIKey

DWTUXMIVGUYEQK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 43164-26-7

CID: 12772298

Formula: C9H18O2

MW: 158.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.24
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	110
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-496787	2-Ethylpentanoic Acid Methyl Ester
sc-496788	2-Ethylpentanoic Acid Methyl Ester-d3
sc-496785	2-Ethylpentanoic Acid
sc-496786	2-Ethylpentanoic Acid-d5
sc-474118	2-Tetradecylhexadecanoic Acid Ethyl Ester
sc-477997	2-Octadecyleicosanoic Acid Ethyl Ester
sc-260072	2-Nitrophenylacetic acid ethyl ester
sc-476882	2-Propylhexanoic Acid Ethyl Ester
sc-477508	2-Morpholinecarboxylic Acid Ethyl Ester
sc-260072A	2-Nitrophenylacetic acid ethyl ester

Catalog	Name
TRC-E818010-1G	2-Ethylpentanoic Acid Ethyl Ester
TRC-E818012-50MG	2-Ethylpentanoic Acid Ethyl Ester-d5
417623-01	2-Ethylpentanoic Acid Methyl Ester
TRC-E818007-50MG	2-Ethylpentanoic Acid Methyl Ester-d3
419186	2-Tetradecylhexadecanoic Acid Ethyl Ester
419005-01	2-Oxazolecarboxylic Acid Ethyl Ester
417460-01	2-Dodecyltetradecanoic Acid Ethyl Ester
417387	2-Decyldodecanoic Acid Ethyl Ester
288336-01	2-Piperazinecarboxylic acid ethyl ester
HY-78216-01	2-Thiooxamic acid ethyl ester