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CAS 16116-92-0 (4-Ethynylphenyl)trimethylsilane molecular structure lightbox
CAS RN: 16116-92-0

(4-Ethynylphenyl)trimethylsilane

  • Product code: SSC-068888
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 16116-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

16116-92-0 / (4-ethynylphenyl)-trimethylsilane

Standard CAS: 16116-92-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16116-92-0
Multi CAS
No
Molecular Formula
C11H14Si
Molecular Weight
174.310000
Exact Mass
174.086477
SMILES
C[Si](C)(C)C1=CC=C(C=C1)C#C
InChI
InChI=1S/C11H14Si/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3
InChIKey
OUJWQLJTMSFUJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
Molar refractivity
57.36
TPSA
0.0000

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2.21
Consensus LogP
2.12
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.21

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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