Dihexyl ketone

CAT: 0024-sc-234690Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-234690Size:5 g

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CAS Number

462-18-0

Chemical Information

7-Tridecanone

7-tridecanone has been reported in Schisandra chinensis with data available.

CAS Number	462-18-0
PubChem CID	10015
IUPAC Name	tridecan-7-one
Molecular Formula	C13H26O
Molecular Weight	198.34
XLogP	4.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Heavy Atom Count	14
Formal Charge	0
Complexity	115

SMILES

CCCCCCC(=O)CCCCCC

InChI

InChI=1S/C13H26O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey

ULIAPOFMBCCSPE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 462-18-0

CID: 10015

Formula: C13H26O

MW: 198.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.34
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Exact Mass	198.198365449
Monoisotopic Mass	198.198365449
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	115
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-486537	Dihexyl Malonate
sc-234689A	Dihexyl ether
sc-234689	Dihexyl ether
sc-506181B	Dihexyl sulfosuccinate sodium salt
sc-506181A	Dihexyl sulfosuccinate sodium salt
sc-506181	Dihexyl sulfosuccinate sodium salt
sc-487844	Dihexyl N, N-Diethylcarbamylmethylenephosphonate
sc-506181C	Dihexyl sulfosuccinate sodium salt
sc-485841	3,3'-Dihexyl-2,2'-bithiophene
sc-485472	3,4'-Dihexyl-2,2'-bithiophene