1-Isopropylcyclohexanol

CAT: 0127-OR81537Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR81537Size:1 Each

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CAS Number

3552-01-0

MDL Number

MFCD12067476

Purity

96%

Smiles

OC1(C(C)C)CCCCC1

Chemical Information

Cyclohexanol, 1-(1-methylethyl)

CAS Number	3552-01-0
PubChem CID	520744
IUPAC Name	1-propan-2-ylcyclohexan-1-ol
Molecular Formula	C9H18O
Molecular Weight	142.24
XLogP	2.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	101

SMILES

CC(C)C1(CCCCC1)O

InChI

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

InChIKey

ZZDMUVQELXJWCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3552-01-0

CID: 520744

Formula: C9H18O

MW: 142.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.24
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	142.135765193
Monoisotopic Mass	142.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	101
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
OR937521-01	4-Isopropylcyclohexanol
OR1077487	Trans-4-Isopropylcyclohexanol
OR937443-01	1-Amino-4-isopropylcyclohexane
OR1028798-01	Isopropylcyclohexane
OR6869-01	5-Isopropylcyclohexane-1,3-dione hydrate
OR85913-01	2-Isobutyryl-4-isopropylcyclohexan-1-one
OR1100151-01	(1S,4s) -4-isopropylcyclohexane-1-carboxylic acid
PC50048-01	Perfluoro (isopropylcyclohexane)
OR15972-01	4-Isopropylcyclohexanone
BUP12620-01	1,1,1,1-Kestohexaose

Catalog	Name
sc-485002	Trans-4-Isopropylcyclohexanol
I09718-01	4-Isopropylcyclohexanol 97%
sc-485000	4-Isopropylcyclohexanol (cis- and trans- mixture)
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1