Methyl 2-octynoate

CAT: 0024-sc-250343Size: 25 mLDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-250343Size:25 mL

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

111-12-6

Chemical Information

Methyl 2-octynoate

Methyl 2-octynoate is a fatty acid ester.

CAS Number	111-12-6
PubChem CID	8092
IUPAC Name	methyl oct-2-ynoate
Molecular Formula	C9H14O2
Molecular Weight	154.21
XLogP	3.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	170

SMILES

CCCCCC#CC(=O)OC

InChI

InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3

InChIKey

FRLZQXRXIKQFNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-12-6

CID: 8092

Formula: C9H14O2

MW: 154.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.21
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	154.099379685
Monoisotopic Mass	154.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-486381	Isoamyl 2-Octynoate
sc-486382	Cis-3-Hexen-1-yl 2-Octynoate
sc-215361	Methyl octanoate
sc-215361A	Methyl octanoate
sc-484157	Methyl-d3 Octanoate
sc-280988	Methyl-8- (5-Hexyl-2-furyl) -octanoate
sc-269414	Methyl 2-[ (2-phenoxyphenylamino) -methyl]benzoate
sc-228578	Methyl trans-2-methyl-2-pentenoate
sc-208965	2-[[ (Ethoxycarbonyl) amino]methyl]-2-methyl Doxyl
sc-328228	Methyl 2-[ (2,4-difluorophenoxy) methyl]benzoate

Catalog	Name
C8748-25000	Methyl 2-Octynoate
HY-W013576S	Methyl 2-Octynoate-d5
HY-W013576R	Methyl 2-Octynoate (Standard)
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)
FH 2C 216A-01	Methyl 2-[ (2-acetylphenoxy) methyl]benzoate
DCA61794-01	Methyl 2-methyl-2- (methylamino) propanoate