![CAS 13732-00-8 3-[Dimethoxy(methyl)silyl]propyl Acrylate (stabilized with MEHQ) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5556-jpgcontextbwfzdgvyfhjvb3r8mjkzodj8aw1hz2uvanblz3xomjivagu1lzg5mza0ndmxmzi5ntgvrdu1ntyuanbnfgvhyjvhyzringu0ngi0yzm1zwy2nmvlzju1mwmzmjjimdvjmty2odayztmzymyzogvhogjiyjqxnmu2ode2zwy.jpeg)
CAS RN: 13732-00-8
3-[Dimethoxy(methyl)silyl]propyl Acrylate (stabilized with MEHQ)
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
- Product code: ICTD5556
- Purity/Analytical Methods: >95.0%(GC)
13732-00-8 / 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
Basic Information
CAS
13732-00-8
Multi CAS
No
Molecular Formula
C9H18O4Si
Molecular Weight
218.320000
Exact Mass
218.097436
SMILES
CO[Si](C)(CCCOC(=O)C=C)OC
InChI
InChI=1S/C9H18O4Si/c1-5-9(10)13-7-6-8-14(4,11-2)12-3/h5H,1,6-8H2,2-4H3
InChIKey
MCDBEBOBROAQSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
56.22
TPSA
44.76
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
1.47
Consensus LogP
1.41
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (75%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P405, and P501
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