3-Ethenylcyclohexan-1-one

CAT: 0926-BAA74063-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-BAA74063-02Size:0.5 g

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CAS Number

1740-63-2

MDL Number

MFCD21338284

Smiles

C=CC1CCCC (=O) C1

Molecular Formula

C8H12O

Molecular Weight

124.18 g/mol

Controlled

Chemical Information

3-Ethenylcyclohexan-1-one

CAS Number	1740-63-2
PubChem CID	557300
IUPAC Name	3-ethenylcyclohexan-1-one
Molecular Formula	C8H12O
Molecular Weight	124.18
XLogP	1.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	127

SMILES

C=CC1CCCC(=O)C1

InChI

InChI=1S/C8H12O/c1-2-7-4-3-5-8(9)6-7/h2,7H,1,3-6H2

InChIKey

VQVDMUZRMVBLJE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1740-63-2

CID: 557300

Formula: C8H12O

MW: 124.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	124.18
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	124.088815002
Monoisotopic Mass	124.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	127
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
EBA10824-01	2-Ethenylcyclohexan-1-ol
ZLD00200-01	Rac- (1R,3R) -3-Ethenylcyclohexan-1-amine hydrochloride
ECA12518-01	3-Ethynylcyclohexan-1-one
XAA46189-01	3-Ethylcyclohexan-1-one
YXC51089-01	3-Ethynylcyclohexan-1-ol
EAA53476-01	3-Ethylcyclohexan-1-ol
RKC21968-01	3-Amino-1-ethynylcyclohexan-1-ol
BAA19233-01	3,3-Dimethylcyclobutan-1-one
NBA42558	3,3-Dimethoxycyclobutan-1-one
QIA95765-01	3,3-Diethylcyclobutan-1-one