![CAS 1565-76-0 [1R-(1Alpha,2beta,5alpha)]-1-(isopropyl)-2-methoxy-4-methylcyclohexane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1565-76-0.png)
CAS RN: 1565-76-0
[1R-(1Alpha,2beta,5alpha)]-1-(isopropyl)-2-methoxy-4-methylcyclohexane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250227 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINR905558
1565-76-0 / (1S,2R,4R)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane
Basic Information
CAS
1565-76-0
Multi CAS
No
Molecular Formula
C11H22O
Molecular Weight
170.290000
Exact Mass
170.167065
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC)C(C)C
InChI
InChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3/t9-,10+,11-/m1/s1
InChIKey
JDGJLPHFRJNJMN-OUAUKWLOSA-N
Physical Properties
Density
0.856-0.862
Physical Description
Clear colourless liquid; Minty aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
52.14
TPSA
9.23
LogP / Solubility
WLOGP
3.09
MLOGP
2.72
XLogP3
3.6
Consensus LogP
3.14
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (84.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (84.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (84.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H411 (15.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501
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