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CAS 131206-74-1 7,7-diMethyl-1,4-dioxaspiro[4.5]decan-8-ol molecular structure lightbox
CAS RN: 131206-74-1

7,7-diMethyl-1,4-dioxaspiro[4.5]decan-8-ol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS131206-74-1
  • Purity/Analytical Methods: >99.0%
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131206-74-1 / 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol

Standard CAS: 131206-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131206-74-1
Multi CAS
No
Molecular Formula
C10H18O3
Molecular Weight
186.250000
Exact Mass
186.125594
SMILES
CC1(CC2(CCC1O)OCCO2)C
InChI
InChI=1S/C10H18O3/c1-9(2)7-10(4-3-8(9)11)12-5-6-13-10/h8,11H,3-7H2,1-2H3
InChIKey
OIWPLAXPMWMSQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.27
TPSA
38.69

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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