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CAS 13688-55-6 Trimethylsilyl Acrylate (stabilized with BHT) molecular structure lightbox
CAS RN: 13688-55-6

Trimethylsilyl Acrylate (stabilized with BHT)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Guangdong, Shanghai Inquiry
  • Product code: ICTT3559
  • Purity/Analytical Methods: >95.0%(GC)
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13688-55-6 / trimethylsilyl prop-2-enoate

Standard CAS: 13688-55-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13688-55-6
Multi CAS
No
Molecular Formula
C6H12O2Si
Molecular Weight
144.240000
Exact Mass
144.060656
SMILES
C[Si](C)(C)OC(=O)C=C
InChI
InChI=1S/C6H12O2Si/c1-5-6(7)8-9(2,3)4/h5H,1H2,2-4H3
InChIKey
OTYBJBJYBGWBHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
39.64
TPSA
26.3

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
1.55
Consensus LogP
1.49
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-2.5

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 Environmental Hazard
Signal
Danger
GHS Hazard Statements
H225 (97.6%): 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] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (95.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501

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