5-Cyclohexadecen-1-one

CAT: 0127-OR1055092-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1055092-01Size:1 g

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CAS Number

37609-25-9

MDL Number

MFCD00059511

Purity

97%

Smiles

O=C1CCC/C=C/CCCCCCCCCC1

Chemical Information

5-Cyclohexadecen-1-one

structure in first source

CAS Number	37609-25-9
PubChem CID	162268
IUPAC Name	cyclohexadec-5-en-1-one
Molecular Formula	C16H28O
Molecular Weight	236.39
XLogP	5.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	218

SMILES

C1CCCCCC(=O)CCCC=CCCCC1

InChI

InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2

InChIKey

ABRIMXGLNHCLIP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37609-25-9

CID: 162268

Formula: C16H28O

MW: 236.39

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.39
XLogP3	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	236.214015512
Monoisotopic Mass	236.214015512
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	218
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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