![CAS 21692-54-6 Cyclohexene, 1-[2-(triethylsilyl)ethynyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21692-54-6.gif)
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
21692-54-6 / 2-(cyclohexen-1-yl)ethynyl-triethylsilane
Basic Information
CAS
21692-54-6
Multi CAS
No
Molecular Formula
C14H24Si
Molecular Weight
220.420000
Exact Mass
220.164727
SMILES
CC[Si](CC)(CC)C#CC1=CCCCC1
InChI
InChI=1S/C14H24Si/c1-4-15(5-2,6-3)13-12-14-10-8-7-9-11-14/h10H,4-9,11H2,1-3H3
InChIKey
KBTOOJLYPFWADT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.71
Rotatable bonds
3
Molar refractivity
71.52
TPSA
0.0000
LogP / Solubility
WLOGP
4.54
MLOGP
4
XLogP3
4.54
Consensus LogP
4.36
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.84
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
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