2-Dodecanone

CAT: 0127-OR1029265-05Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR1029265-05Size:500 g

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CAS Number

6175-49-1

Synonyms

Dodecan-2-one

Purity

98%

Smiles

CCCCCCCCCCC(=O)C

Chemical Information

2-Dodecanone

2-Dodecanone is a ketone.

CAS Number	6175-49-1
PubChem CID	22556
IUPAC Name	dodecan-2-one
Molecular Formula	C12H24O
Molecular Weight	184.32
XLogP	4.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Heavy Atom Count	13
Formal Charge	0
Complexity	118

SMILES

CCCCCCCCCCC(=O)C

InChI

InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3

InChIKey

LSKONYYRONEBKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6175-49-1

CID: 22556

Formula: C12H24O

MW: 184.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.32
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Exact Mass	184.182715385
Monoisotopic Mass	184.182715385
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	118
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
OR1077670	5-Dodecanone
OR1029293-01	2-Dodecanol
OR1010403-01	2-Chloroethyl Dodecanoate
OR1028721-01	2-Hydroxypropyl Dodecanoate
OR1061342-01	Oxiran-2-ylmethyl dodecanoate
OR1030703-01	2-Octyl-1-Dodecanol
OR1052284-01	1,3-Dioxoisoindolin-2-yl dodecanoate
OR1013070-01	Dodecane-1,12-Diyl Bis (2-Methylacrylate)
OR95461-01	Dodecane
OR1023565-01	Vinyl Dodecanoate

Catalog	Name
sc-230253	2-Dodecanone
D56079-01	2-Dodecanone 99%
sc-277351	4-Dodecanone
D56080-01	3-Dodecanone
sc-487081	5-Dodecanone
NLA86273-01	1-Oxazolo[4,5-b]pyridin-2-yl-1-dodecanone
D470853	5,8-Diethyl-7-hydroxy-6-dodecanone
GAA87377	5,8-Diethyl-7-hydroxy-6-dodecanone oxime
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate