CAS RN: 18270-17-2
1-(Trimethylsilyl)-1-pentyne
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260508 | 1g | In stock | Shanghai | Inquiry |
- Product code: ICTT2746
- Purity/Analytical Methods: >98.0%(GC)
18270-17-2 / trimethyl(pent-1-ynyl)silane
Basic Information
CAS
18270-17-2
Multi CAS
No
Molecular Formula
C8H16Si
Molecular Weight
140.300000
Exact Mass
140.102127
SMILES
CCCC#C[Si](C)(C)C
InChI
InChI=1S/C8H16Si/c1-5-6-7-8-9(2,3)4/h5-6H2,1-4H3
InChIKey
CABCDUQQPBAHEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
1
Molar refractivity
46.03
TPSA
0.0000
LogP / Solubility
WLOGP
2.67
MLOGP
2.34
XLogP3
2.67
Consensus LogP
2.56
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-1.68
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
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
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