![CAS 120591-36-8 4-[(tert-ButyldiMethylsilyl)oxy]butan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/120591-36-8.gif)
CAS RN: 120591-36-8
4-[(tert-ButyldiMethylsilyl)oxy]butan-2-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251209 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS120591-36-8
- Purity/Analytical Methods: >99.0%
120591-36-8 / 4-[tert-butyl(dimethyl)silyl]oxybutan-2-one
4-[(tert-Butyldimethylsilyl)oxy]butan-2-one | 4-[tert-butyl(dimethyl)silyl]oxybutan-2-one | 4-((tert-Butyldimethylsilyl)oxy)butan-2-one
Basic Information
CAS
120591-36-8
Multi CAS
No
Molecular Formula
C10H22O2Si
Molecular Weight
202.370000
Exact Mass
202.138906
SMILES
CC(=O)CCO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C10H22O2Si/c1-9(11)7-8-12-13(5,6)10(2,3)4/h7-8H2,1-6H3
InChIKey
FNQOZVBPYZGHNO-UHFFFAOYSA-N
Synonyms
4-[(tert-Butyldimethylsilyl)oxy]butan-2-one
4-[tert-butyl(dimethyl)silyl]oxybutan-2-one
4-((tert-Butyldimethylsilyl)oxy)butan-2-one
starbld0038808
4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butanone
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
58.45
TPSA
26.3
LogP / Solubility
WLOGP
2.99
MLOGP
2.63
XLogP3
2.99
Consensus LogP
2.87
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-1.83
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
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