CAS RN: 13058-24-7
tert-Butoxytrimethylsilane
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTB5877
- Purity/Analytical Methods: >97.0%(GC)
13058-24-7 / trimethyl-[(2-methylpropan-2-yl)oxy]silane
Basic Information
CAS
13058-24-7
Multi CAS
No
Molecular Formula
C7H18OSi
Molecular Weight
146.300000
Exact Mass
146.112692
SMILES
CC(C)(C)O[Si](C)(C)C
InChI
InChI=1S/C7H18OSi/c1-7(2,3)8-9(4,5)6/h1-6H3
InChIKey
PGZGBYCKAOEPQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.18
TPSA
9.23
LogP / Solubility
WLOGP
2.64
MLOGP
2.31
XLogP3
2.64
Consensus LogP
2.53
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-1.74
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
Safety & Transport
Pictogram(s)
Flammable
Irritant
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501
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- CAS RN: 17865-32-6
- Product Code: ICTC1982
- Purity/Analytical method: >98.0%(GC)
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