2- (Oxolan-3-yl) cyclohexan-1-one

CAT: 0926-GBA89167-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-GBA89167-02Size:0.5 g

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CAS Number

31891-67-5

MDL Number

MFCD18366526

Smiles

C1CCC (=O) C (C1) C2CCOC2

Molecular Formula

C10H16O2

Molecular Weight

168.23 g/mol

Controlled

Chemical Information

2-(Oxolan-3-yl)cyclohexan-1-one

CAS Number	31891-67-5
PubChem CID	63564395
IUPAC Name	2-(oxolan-3-yl)cyclohexan-1-one
Molecular Formula	C10H16O2
Molecular Weight	168.23
XLogP	1.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	177

SMILES

C1CCC(=O)C(C1)C2CCOC2

InChI

InChI=1S/C10H16O2/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h8-9H,1-7H2

InChIKey

NKLQONGHRZIMGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31891-67-5

CID: 63564395

Formula: C10H16O2

MW: 168.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.23
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	168.115029749
Monoisotopic Mass	168.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
VWA38604-01	3- (Oxolan-3-yl) cyclohexan-1-one
QMC32724-01	3- (Oxolan-3-yl) azepan-2-one
JFC42902-01	1- (Oxolan-3-yl) propan-2-one
XXC42666-01	[2- (Oxolan-2-yl) oxolan-2-yl]methanol
TDC45625-01	2- (Furan-3-yl) cyclohexan-1-one
RFC30903-01	3- (3-Hydroxypyridin-2-yl) cyclohexan-1-one
RFC20737-01	3- (3-Methylpyridin-2-yl) cyclohexan-1-one
YGC02449-01	2- (Oxolan-3-yl) -1-phenylethan-1-one
FQC76335-01	3- (Piperazin-1-yl) oxolan-2-one dihydrochloride
FHC09180-01	3- (Oxolan-2-yl) pyrrolidine

Catalog	Name
OR87060-01	1- (oxolan-3-yl) ethan-1-one
OR1036394-01	1- (Oxolan-3-yl) propan-1-one
OR1102735-01	1- (Oxolan-3-yl) propan-2-one
OR1002780	3- (1H-Pyrazol-1-yl) cyclohexan-1-one
OR85571-01	4- (Pyrrolidin-1-yl) cyclohexan-1-one
1630763-35-7	3- (piperazin-1-yl) oxolan-2-one dihydrochloride
OR1003579-01	4- (Pyrazin-2-yl) cyclohexan-1-one
PC7668M-01	3- (Trifluoromethyl) cyclohexan-1-one
OR76983-01	3- (Methylsulfanyl) cyclohexan-1-one
OR40418	3- (Hydroxymethyl) cyclohexan-1-one