Methyl oct-2-enoate

CAT: 0127-OR24496-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR24496-01Size:5 g

Selected

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

Quick Request Actions

CAS Number

7367-81-9

MDL Number

MFCD00036620

Purity

97%

Smiles

CCCCC\C=C\C(=O)OC

Chemical Information

Methyl oct-2-enoate

Methyl 2-octenoate is a fatty acid ester.

CAS Number	7367-81-9
PubChem CID	5364532
IUPAC Name	methyl (E)-oct-2-enoate
Molecular Formula	C9H16O2
Molecular Weight	156.22
XLogP	3
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	128

SMILES

CCCCC/C=C/C(=O)OC

InChI

InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+

InChIKey

CJBQSBZJDJHMLF-BQYQJAHWSA-N

Chemical Structure

2D Structure

CAS: 7367-81-9

CID: 5364532

Formula: C9H16O2

MW: 156.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.22
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	156.115029749
Monoisotopic Mass	156.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	128
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP13763	Methyl (E) -oct-2-enoate
OR01812	Ethyl oct-7-enoate
OR40582-01	Methyl pent-2-enoate
OR1072025-01	Methyl 2-bromobut-2-enoate
OR26312	Methyl 3-methyl-2-phenylbut-2-enoate
OR6667-01	Methyl (2E) -pent-2-enoate
OR1070931-01	Methyl 4-cyanobut-2-enoate
OR6768-01	Methyl 5-methylhex-2-enoate
OR936535-01	Methyl 2-hydroxybut-3-enoate
OR1037073	Methyl (2e) -2-methylbut-2-enoate

Catalog	Name
GTR19244035-01	Methyl (E) -oct-2-enoate
sc-235639	Methyl (Z) -oct-2-enoate-3-boronic acid pinacol ester
RG-M050895-01	(E) -Methyl But-2-Enoate
GCA00930-01	Methyl 2-methoxybut-2-enoate
FM104359	Methyl 2-fluoroprop-2-enoate
ACA65279-01	Methyl 3-methylpent-2-enoate
FAA83773-01	Methyl 2-hydroxybut-3-enoate
RG-M050896-01	Methyl 4-Bromobut-2-Enoate
sc-258273A	Trans-Methyl pent-2-enoate
YDA27233-01	Methyl 3-cyclopropylprop-2-enoate