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CAS 60761-00-4 (1alpha,4alpha,6alpha)-(±)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol molecular structure lightbox
CAS RN: 60761-00-4

(1alpha,4alpha,6alpha)-(±)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 1mg In stock Shanghai, Shandong Inquiry
Batchno.20251123 1mg Out of stock Inquiry
  • Product code: starshine_CAS60761-00-4
  • Purity/Analytical Methods: >99.0%
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60761-00-4 / (1S,4R,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol

Standard CAS: 60761-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60761-00-4
Multi CAS
Yes
Molecular Formula
C10H18O2
Molecular Weight
170.250000
Exact Mass
170.130680
InChI
InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
InChIKey
YVCUGZBVCHODNB-WEDXCCLWSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.92
TPSA
29.46

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
1.2
Consensus LogP
1.47
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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