4-Cyclopentylbutan-2-one

CAT: 0926-TAA21675-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-TAA21675-01Size:50 mg

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CAS Number

18216-75-6

MDL Number

MFCD14694940

Smiles

CC (=O) CCC1CCCC1

Molecular Formula

C9H16O

Molecular Weight

140.22 g/mol

Controlled

Chemical Information

4-Cyclopentylbutan-2-one

CAS Number	18216-75-6
PubChem CID	12427701
IUPAC Name	4-cyclopentylbutan-2-one
Molecular Formula	C9H16O
Molecular Weight	140.22
XLogP	2.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	112

SMILES

CC(=O)CCC1CCCC1

InChI

InChI=1S/C9H16O/c1-8(10)6-7-9-4-2-3-5-9/h9H,2-7H2,1H3

InChIKey

YRLAELHRQPTDAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18216-75-6

CID: 12427701

Formula: C9H16O

MW: 140.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.22
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	140.120115130
Monoisotopic Mass	140.120115130
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	112
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
IDC77453-01	4-Cyclopentylbutan-2-amine hydrochloride
FAA73294-01	4-Cyclopentylbutan-1-amine
FAA73293-01	4-Cyclopentylbutan-1-ol
GAA63568-01	1-Cyclopentylbutan-1-one
EXB86656-01	1-Cyclopentylbutan-1-amine
FCA04781-01	4,4-Dimethylpiperidin-2-one
EAA87995-01	4,4-Dimethylazetidin-2-one
FAC66674-01	4,4-Difluoropiperidin-2-one
EAA29875-01	2,2,4,4-Tetramethylcyclobutan-1-one
XZB99059-01	4- (2,4-Difluorophenyl) butan-2-one