CAS RN: 16546-47-7
DIMETHYLVINYLMETHOXYSILANE
Product Availability
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS16546-47-7
- Purity/Analytical Methods: >99.0%
16546-47-7 / ethenyl-methoxy-dimethylsilane
Basic Information
CAS
16546-47-7
Multi CAS
No
Molecular Formula
C5H12OSi
Molecular Weight
116.230000
Exact Mass
116.065742
SMILES
CO[Si](C)(C)C=C
InChI
InChI=1S/C5H12OSi/c1-5-7(3,4)6-2/h5H,1H2,2-4H3
InChIKey
NUFVQEIPPHHQCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
34.69
TPSA
9.23
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1.56
Consensus LogP
1.5
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
