7-Hexadecanone

CAT: 0127-OR1024885-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1024885-02Size:5 g

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CAS Number

45206-91-5

Synonyms

Hexadecan-7-one

Purity

97%

Smiles

CCCCCCCCCC(=O)CCCCCC

Chemical Information

7-Hexadecanone

CAS Number	45206-91-5
PubChem CID	98679
IUPAC Name	hexadecan-7-one
Molecular Formula	C16H32O
Molecular Weight	240.42
XLogP	6.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Heavy Atom Count	17
Formal Charge	0
Complexity	163

SMILES

CCCCCCCCCC(=O)CCCCCC

InChI

InChI=1S/C16H32O/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2/h3-15H2,1-2H3

InChIKey

XMIMKDVDMTZIIW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 45206-91-5

CID: 98679

Formula: C16H32O

MW: 240.42

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.42
XLogP3	6.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	240.245315640
Monoisotopic Mass	240.245315640
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	163
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
OR1068174-01	2-Hexadecanone
OR1024571	1-Bromo-2-Hexadecanone
OR01801	7-Bromooct-7-enenitrile
OR54331-01	7-Azaindole 7-oxide
BUP06642-01	7-Cyano-7-deazaguanine
OR2959	7-Chlorooct-7-enenitrile
OR1027958-01	7-Methyloctyl 7-Methyloctanoate
OR01806	7-Methyloct-7-enenitrile
OR90529-01	7-Methoxy-7-oxoheptanoic acid
OR1049856-01	7- (7-Aminoheptanamido) heptanoic acid

Catalog	Name
sc-278606	7-Hexadecanone
TRC-H293550-1G	2-Hexadecanone
sc-278514	6-Hexadecanone
sc-268071	5-Hexadecanone
sc-231739	3-Hexadecanone
sc-264748	1-Bromo-2-hexadecanone
FD172082-01	1-[4- (Dimethylamino) phenyl]-1-hexadecanone
X-LCP-105	7.7 MAG
TBZ1236	7,7α-Diepialexine
sc-390856	Dok-7 (A-7)