(2S) -1-Cyclohexylpropan-2-ol

CAT: 0926-QFA14583-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-QFA14583-01Size:50 mg

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CAS Number

140145-83-1

MDL Number

MFCD28118530

Smiles

CC (CC1CCCCC1) O

Molecular Formula

C9H18O

Molecular Weight

142.24 g/mol

Controlled

Chemical Information

(2S)-1-cyclohexylpropan-2-ol

CAS Number	140145-83-1
PubChem CID	86811788
IUPAC Name	(2S)-1-cyclohexylpropan-2-ol
Molecular Formula	C9H18O
Molecular Weight	142.24
XLogP	3.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	84

SMILES

C[C@@H](CC1CCCCC1)O

InChI

InChI=1S/C9H18O/c1-8(10)7-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3/t8-/m0/s1

InChIKey

HJUJYGDGYXVQCZ-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 140145-83-1

CID: 86811788

Formula: C9H18O

MW: 142.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.24
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	142.135765193
Monoisotopic Mass	142.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	84.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
HXC93811-01	(2R) -1-Cyclohexylpropan-2-ol
RAA66407-01	2-cyclohexylpropan-2-ol
WSB03034-01	1-Amino-2-cyclohexylpropan-2-ol
FJB36385-01	2-Amino-2-cyclohexylpropan-1-ol
BEB11992-01	2-Amino-1-cyclohexylpropan-1-ol
GCA40182-01	(2S) -1-Cyclohexylpropan-2-amine hydrochloride
FFA09231-01	3-Amino-2-cyclohexylpropan-1-ol
BFA67900-01	3-Amino-1-cyclohexylpropan-1-ol
ECA70434-01	1-Cyclohexylpropan-2-amine
ZCA70908-01	(2S) -1-Phenylbutan-2-ol