3-Cyclohexene-1-methanol

CAT: 0024-sc-231663BSize: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-231663BSize:10 g

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CAS Number

1679-51-2

Chemical Information

3-Cyclohexene-1-methanol

3-cyclohexene-1-methanol has been reported in Artemisia absinthium with data available.

CAS Number	1679-51-2
PubChem CID	15512
IUPAC Name	cyclohex-3-en-1-ylmethanol
Molecular Formula	C7H12O
Molecular Weight	112.17
XLogP	1.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	86

SMILES

C1CC(CC=C1)CO

InChI

InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2

InChIKey

VEIYJWQZNGASMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1679-51-2

CID: 15512

Formula: C7H12O

MW: 112.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.17
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	112.088815002
Monoisotopic Mass	112.088815002
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.4
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
sc-223537	3-Cyclohexene-1-carboxaldehyde
sc-486065	3-Methyl-1-cyclohexene
sc-491143	(4R) -1-Hydroxy-4- (1-methylethenyl) -2-cyclohexene-1-methanol
sc-396212	2- (4-Chlorophenyl) -5,5-dimethyl-1-cyclohexene-1-methanol
sc-486983	Ethyl 3-Cyclohexene-1-carboxylate
sc-276205	3-Cyclohexene-1-carbonyl chloride
sc-232031	3,4-Epoxy-1-cyclohexene
sc-486959	Methyl 3-Cyclohexene-1-carboxylate
sc-231662	3-Cyclohexene-1-carboxylic acid
sc-251472	1- (Trimethylsiloxy) cyclohexene

Catalog	Name
BAA67951-01	3-Cyclohexene-1-methanol
160543	3-Cyclohexene-1-methanol Methanesulfonate
CBA84122-01	3-Cyclohexene-1-carboxaldehyde
OR1044221-01	3-Methyl-1-cyclohexene
AR-M05408-01	(4R) -1-Hydroxy-4- (1-methylethenyl) -2-cyclohexene-1-methanol
MBS6024870-01	(4R)-1-Hydroxy-4-(1-methylethenyl)-2-cyclohexene-1-methanol
RG-C250306-01	3-Cyclohexene-1,1-Dimethanol
006501	2- (4-Chlorophenyl) -5,5-dimethyl-1-cyclohexene-1-methanol
MBS6093374-01	2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexene-1-methanol
TRC-H947820-50MG	(4R)-1-Hydroxy-4-(1-methylethenyl)-2-cyclohexene-1-methanol (>90%)