2-Methyl-4-undecanone

CAT: 0024-sc-489755Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-489755Size:25 g

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CAS Number

19594-40-2

Chemical Information

2-Methyl-4-undecanone

CAS Number	19594-40-2
PubChem CID	246924
IUPAC Name	2-methylundecan-4-one
Molecular Formula	C12H24O
Molecular Weight	184.32
XLogP	4.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	127

SMILES

CCCCCCCC(=O)CC(C)C

InChI

InChI=1S/C12H24O/c1-4-5-6-7-8-9-12(13)10-11(2)3/h11H,4-10H2,1-3H3

InChIKey

IEBAJFDSHJYDCK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19594-40-2

CID: 246924

Formula: C12H24O

MW: 184.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.32
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	184.182715385
Monoisotopic Mass	184.182715385
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	127
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-267755	4-Undecanone
sc-238220A	2-Undecanone
sc-238220	2-Undecanone
sc-268138	5-Undecanone
sc-233645	6-Undecanone
sc-266846	3-Undecanone
sc-266846A	3-Undecanone
sc-487237	7-Ethyl-2-methyl-4-undecanol
sc-336465	4-Methyl-2-[ (4-methyl-pyridin-2-ylamino) -methyl]-phenol
sc-279400	Methyl 4-methyl-2-pentenoate

Catalog	Name
OR95886-01	2-Methyl-4-Undecanone
OR1011684-01	4-Undecanone
419224-01	2-Undecanone
U00350-01	4-Undecanone 97%
HY-W016969R-01	2-Undecanone (Standard)
291822-01	6-Undecanone
OR1011936-01	5-Undecanone
CAA21687-01	3-Undecanone
U00340-01	3-Undecanone 98%
abx182527-01	Methyl 2-methyl-4-nitrobenzoate