3-Ethylcyclohexan-1-ol

CAT: 0926-EAA53476-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-EAA53476-01Size:0.5 g

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CAS Number

4534-76-3

MDL Number

MFCD18917264

Smiles

CCC1CCCC (C1) O

Molecular Formula

C8H16O

Molecular Weight

128.21 g/mol

Controlled

Chemical Information

3-Ethylcyclohexan-1-ol

CAS Number	4534-76-3
PubChem CID	228298
IUPAC Name	3-ethylcyclohexan-1-ol
Molecular Formula	C8H16O
Molecular Weight	128.21
XLogP	2.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	80

SMILES

CCC1CCCC(C1)O

InChI

InChI=1S/C8H16O/c1-2-7-4-3-5-8(9)6-7/h7-9H,2-6H2,1H3

InChIKey

UNIOXDKEUNVBAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4534-76-3

CID: 228298

Formula: C8H16O

MW: 128.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.21
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	128.120115130
Monoisotopic Mass	128.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	80.6
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
HHC67929-01	4-Amino-1-ethylcyclohexan-1-ol
XAA46189-01	3-Ethylcyclohexan-1-one
YXC51089-01	3-Ethynylcyclohexan-1-ol
QDA22626-01	1-Ethylcyclohexan-1-amine hydrochloride
RKC21968-01	3-Amino-1-ethynylcyclohexan-1-ol
EBA10824-01	2-Ethenylcyclohexan-1-ol
FAA87741-01	2-Ethynylcyclohexan-1-ol
JBD34837-01	N- (Dicyclopropylmethyl) -4-ethylcyclohexan-1-amine hydrochloride
IBA48367-01	Rac- (1S,4R) -4-Ethylcyclohexan-1-amine hydrochloride
EDA80279-01	1,3,3-Trimethylcyclohexan-1-ol

Catalog	Name
OR1040185-01	3-Ethylcyclohexan-1-one
OR12347-01	4-Ethylcyclohexan-1-amine
OR91130-01	2-Ethylcyclohexan-1-one
OR5042-01	4-Ethylcyclohexan-1-one
OR1100284-01	Trans-4-Ethylcyclohexan-1-amine hydrochloride
JH198816	3,3-diphenylpropan-1-ol
PC101996-01	3,3-Difluoropropan-1-ol
OR74677-01	3,3-Diethoxypropan-1-ol
OR83419-01	3,3-Dimethoxycyclobutan-1-ol
TYD-00118	3-Butyn-1-ol